Tuesday, October 25, 2011

http://ChemLookup.com Compounds



CAS RN: 35775-84-9
CAS Name: propanoic acid [(14E)-9-[[4-(dimethylamino)-3-hydroxy-5-[[4-hydroxy-4,6-dimethyl-5-(1-oxopropoxy)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-13-(1-oxopropoxy)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] ester
OPENEYE Name: [(14E)-9-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxy-tetrahydropyran-2-yl)oxy-6-methyl-tetrahydropyran-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-13-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoat
IUPAC Name: [(14E)-9-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-13-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate
SYSTEMATIC NAME: [(14E)-9-[4-(dimethylamino)-5-(4,6-dimethyl-4-oxidanyl-5-propanoyloxy-oxan-2-yl)oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-13-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoat
MOLECULAR FORMULA: C44H71NO17
MOLECULAR WEIGHT: 886.03104
SMILES: CCC(=O)OC1CC(=O)OC(CC2C(O2)/C=C/C(C(CC(C(C1OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)OC(=O)CC)C
Structure:
CAS RN: 35775-83-8
CAS Name: propanoic acid [(14E)-7-acetyloxy-9-[[5-[(5-acetyloxy-4-hydroxy-4,6-dimethyl-2-oxanyl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-13-yl] ester
OPENEYE Name: [(14E)-7-acetoxy-9-[5-(5-acetoxy-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-13-yl] propanoate
IUPAC Name: [(14E)-7-acetyloxy-9-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-13-yl] propanoate
SYSTEMATIC NAME: [(14E)-7-acetyloxy-9-[5-(5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl)oxy-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-13-yl] propanoate
MOLECULAR FORMULA: C42H67NO17
MOLECULAR WEIGHT: 857.97788
SMILES: CCC(=O)OC1/C=C/C2C(O2)CC(OC(=O)CC(C(C(C(CC1C)CC=O)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)C)(C)O)N(C)C)O)OC)OC(=O)C)C
Structure:
CAS RN: 35775-66-7
CAS Name: acetic acid [(14E)-9-[[5-[(5-acetyloxy-4-hydroxy-4,6-dimethyl-2-oxanyl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] ester
OPENEYE Name: [(14E)-9-[5-(5-acetoxy-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] acetate
IUPAC Name: [(14E)-9-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] acetate
SYSTEMATIC NAME: [(14E)-9-[5-(5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl)oxy-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8-methoxy-3,12-dimethyl-13-oxidanyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] ethanoate
MOLECULAR FORMULA: C39H63NO16
MOLECULAR WEIGHT: 801.91462
SMILES: CC1CC(C(C(C(CC(=O)OC(CC2C(O2)/C=C/C1O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)C)(C)O)N(C)C)O)CC=O
Structure:
CAS RN: 35775-65-6
CAS Name: 3-methylbutanoic acid [6-[[4-(dimethylamino)-5-hydroxy-6-[[(14E)-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-7,13-bis(1-oxopropoxy)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(14E)-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-7,13-di(propanoyloxy)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoat
IUPAC Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(14E)-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-7,13-di(propanoyloxy)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[4-(dimethylamino)-6-[[(14E)-8-methoxy-3,12-dimethyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-7,13-di(propanoyloxy)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoat
MOLECULAR FORMULA: C46H75NO17
MOLECULAR WEIGHT: 914.0842
SMILES: CCC(=O)OC1CC(=O)OC(CC2C(O2)/C=C/C(C(CC(C(C1OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)OC(=O)CC)C
Structure:
CAS RN: 35632-36-1
CAS Name: (E)-2-butenedioic acid; [2-[2-[3-(thiophen-2-ylmethylamino)propyl]phenyl]phenyl]methanol
OPENEYE Name: fumaric acid; [2-[2-[3-(2-thienylmethylamino)propyl]phenyl]phenyl]methanol
IUPAC Name: (E)-but-2-enedioic acid; [2-[2-[3-(thiophen-2-ylmethylamino)propyl]phenyl]phenyl]methanol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; [2-[2-[3-(thiophen-2-ylmethylamino)propyl]phenyl]phenyl]methanol
MOLECULAR FORMULA: C25H27NO5S
MOLECULAR WEIGHT: 453.55058
SMILES: C1=CC=C(C(=C1)CCCNCC2=CC=CS2)C3=CC=CC=C3CO.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 35457-81-9
CAS Name: butanoic acid [6-[[4-(dimethylamino)-5-hydroxy-6-[[(11E,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(1-oxopropoxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(11E,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] butanoate
IUPAC Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(11E,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
SYSTEMATIC NAME: [6-[4-(dimethylamino)-6-[[(11E,13E)-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] butanoate
MOLECULAR FORMULA: C42H69NO15
MOLECULAR WEIGHT: 827.99496
SMILES: CCCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(/C=C/C=C/CC(OC(=O)CC(C3OC)OC(=O)CC)C)O)C)CC=O)C)C
Structure:
CAS RN: 35375-29-2
CAS Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,
OPENEYE Name: methyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]non
IUPAC Name: methyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4
SYSTEMATIC NAME: methyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[3
MOLECULAR FORMULA: C48H76ClNO17
MOLECULAR WEIGHT: 974.56654
SMILES: C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)OC)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O.Cl
Structure:
CAS RN: 35366-57-5
CAS Name: 2-(5-chloro-2-ethoxyphenyl)-N,N-dimethylethanamine; (E)-2-cyclohexyl-2-butenedioic acid
OPENEYE Name: 2-(5-chloro-2-ethoxy-phenyl)-N,N-dimethyl-ethanamine; (E)-2-cyclohexylbut-2-enedioic acid
IUPAC Name: 2-(5-chloro-2-ethoxyphenyl)-N,N-dimethylethanamine; (E)-2-cyclohexylbut-2-enedioic acid
SYSTEMATIC NAME: 2-(5-chloranyl-2-ethoxy-phenyl)-N,N-dimethyl-ethanamine; (E)-2-cyclohexylbut-2-enedioic acid
MOLECULAR FORMULA: C22H32ClNO5
MOLECULAR WEIGHT: 425.94618
SMILES: CCOC1=C(C=C(C=C1)Cl)CCN(C)C.C1CCC(CC1)/C(=C\C(=O)O)/C(=O)O
Structure:
CAS RN: 35047-69-9
CAS Name: N-[3-(4-morpholinyl)propyl]-5-phenylpentanamide; (E)-2-phenyl-2-butenedioic acid
OPENEYE Name: N-(3-morpholinopropyl)-5-phenyl-pentanamide; (E)-2-phenylbut-2-enedioic acid
IUPAC Name: N-(3-morpholin-4-ylpropyl)-5-phenylpentanamide; (E)-2-phenylbut-2-enedioic acid
SYSTEMATIC NAME: N-(3-morpholin-4-ylpropyl)-5-phenyl-pentanamide; (E)-2-phenylbut-2-enedioic acid
MOLECULAR FORMULA: C28H36N2O6
MOLECULAR WEIGHT: 496.59524
SMILES: C1COCCN1CCCNC(=O)CCCCC2=CC=CC=C2.C1=CC=C(C=C1)/C(=C\C(=O)O)/C(=O)O
Structure:
CAS RN: 35030-42-3
CAS Name: (E)-2-butenedioic acid; 1-(4-methoxyphenyl)-3-[2-(4-morpholinyl)ethyl]-5H-2,3-benzodiazepin-4-one
OPENEYE Name: fumaric acid; 1-(4-methoxyphenyl)-3-(2-morpholinoethyl)-5H-2,3-benzodiazepin-4-one
IUPAC Name: (E)-but-2-enedioic acid; 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-2,3-benzodiazepin-4-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-2,3-benzodiazepin-4-one
MOLECULAR FORMULA: C26H29N3O7
MOLECULAR WEIGHT: 495.52436
SMILES: COC1=CC=C(C=C1)C2=NN(C(=O)CC3=CC=CC=C32)CCN4CCOCC4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 35020-81-6
CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; (2E)-3-heptyl-2-[(3-heptyl-4-methyl-2-thiazol-3-iumyl)methylidene]-4-methylthiazole
OPENEYE Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; (2E)-3-heptyl-2-[(3-heptyl-4-methyl-thiazol-3-ium-2-yl)methylene]-4-methyl-thiazole
IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; (2E)-3-heptyl-2-[(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-4-methyl-1,3-thiazole
SYSTEMATIC NAME: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; (2E)-3-heptyl-2-[(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-4-methyl-1,3-thiazole
MOLECULAR FORMULA: C28H42N4O4S2
MOLECULAR WEIGHT: 562.78748
SMILES: CCCCCCCN\1C(=CS/C1=C/C2=[N+](C(=CS2)C)CCCCCCC)C.C1=C(NC(=O)NC1=O)C(=O)[O-]
Structure:
CAS RN: 34885-56-8
CAS Name: (3E)-N-methyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-1-propanamine
OPENEYE Name: (3E)-N-methyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
IUPAC Name: (3E)-N-methyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
SYSTEMATIC NAME: (3E)-N-methyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
MOLECULAR FORMULA: C16H17NS2
MOLECULAR WEIGHT: 287.44288
SMILES: CNCC/C=C\1/C2=C(SCC3=CC=CC=C31)SC=C2
Structure:
CAS RN: 34873-96-6
CAS Name: 1-[(E)-but-2-enyl]-2-phenyl-1,2,4-triazolidine-3,5-dione
OPENEYE Name: 1-[(E)-but-2-enyl]-2-phenyl-1,2,4-triazolidine-3,5-dione
IUPAC Name: 1-[(E)-but-2-enyl]-2-phenyl-1,2,4-triazolidine-3,5-dione
SYSTEMATIC NAME: 1-[(E)-but-2-enyl]-2-phenyl-1,2,4-triazolidine-3,5-dione
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: C/C=C/CN1C(=O)NC(=O)N1C2=CC=CC=C2
Structure:
CAS RN: 34801-48-4
CAS Name: (E)-2-butenedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-propanamine
OPENEYE Name: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-amine
MOLECULAR FORMULA: C29H34ClN3O8S
MOLECULAR WEIGHT: 620.11356
SMILES: C1N(CCN(C1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl)CCCN.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34801-41-7
CAS Name: (E)-2-butenedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]propanenitrile
OPENEYE Name: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanenitrile; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanenitrile
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanenitrile
MOLECULAR FORMULA: C25H26ClN3O4S
MOLECULAR WEIGHT: 500.00964
SMILES: C1CN(CCN1CCC#N)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34775-79-6
CAS Name: (E)-2-butenedioic acid; 1-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
OPENEYE Name: fumaric acid; 1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
MOLECULAR FORMULA: C23H26N2O4S2
MOLECULAR WEIGHT: 458.59354
SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCNCC4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34775-70-7
CAS Name: (E)-2-butenedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]acetate; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; ethyl 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]acetate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethyl 2-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanoate
MOLECULAR FORMULA: C26H29ClN2O6S
MOLECULAR WEIGHT: 533.03626
SMILES: CCOC(=O)CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34775-60-5
CAS Name: (E)-2-butenedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]propanoic acid methyl ester
OPENEYE Name: fumaric acid; methyl 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanoate
IUPAC Name: (E)-but-2-enedioic acid; methyl 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanoate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; methyl 3-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanoate
MOLECULAR FORMULA: C26H29ClN2O6S
MOLECULAR WEIGHT: 533.03626
SMILES: COC(=O)CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34775-58-1
CAS Name: (E)-2-butenedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]propanamide
OPENEYE Name: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C25H28ClN3O5S
MOLECULAR WEIGHT: 518.02492
SMILES: C1CN(CCN1CCC(=O)N)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34775-53-6
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(cyclopropylmethyl)piperazine
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(cyclopropylmethyl)piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(cyclopropylmethyl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(cyclopropylmethyl)piperazine
MOLECULAR FORMULA: C26H29ClN2O4S
MOLECULAR WEIGHT: 501.03746
SMILES: C1CC1CN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34775-51-4
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexyl-piperazine
MOLECULAR FORMULA: C28H33ClN2O4S
MOLECULAR WEIGHT: 529.09062
SMILES: C1CCC(CC1)N2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34773-35-8
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
MOLECULAR FORMULA: C22H23ClN2O4S
MOLECULAR WEIGHT: 446.94702
SMILES: C1CN(CCN1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34770-89-3
CAS Name: (E)-2-butenedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-hydroxy-1-piperazinyl]propanimidamide
OPENEYE Name: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-hydroxy-piperazin-1-yl]propanamidine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-hydroxypiperazin-1-yl]propanimidamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-oxidanyl-piperazin-1-yl]propanimidamide
MOLECULAR FORMULA: C25H29ClN4O5S
MOLECULAR WEIGHT: 533.03956
SMILES: C1CN(C(CN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O)CCC(=N)N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34770-84-8
CAS Name: (E)-2-butenedioic acid; 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-(2-hydroxyethyl)amino]ethanol
OPENEYE Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-(2-hydroxyethyl)amino]ethanol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C22H24ClNO6S
MOLECULAR WEIGHT: 465.94706
SMILES: C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)N(CCO)CCO.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34661-59-1
CAS Name: (E)-2-butenedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-N,N-diethylethanamine
OPENEYE Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-N,N-diethyl-ethanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-N,N-diethylethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C32H40ClN3O8S
MOLECULAR WEIGHT: 662.1933
SMILES: CCN(CCN1CCN(CC1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34661-58-0
CAS Name: (E)-2-butenedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-N,N-dimethylethanamine
OPENEYE Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-N,N-dimethyl-ethanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-N,N-dimethylethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C30H36ClN3O8S
MOLECULAR WEIGHT: 634.14014
SMILES: CN(CCN1CCN(CC1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34661-55-7
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynyl-piperazine
MOLECULAR FORMULA: C25H25ClN2O4S
MOLECULAR WEIGHT: 484.995
SMILES: C#CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34661-54-6
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-enylpiperazine
OPENEYE Name: 1-allyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-enylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-enyl-piperazine
MOLECULAR FORMULA: C25H27ClN2O4S
MOLECULAR WEIGHT: 487.01088
SMILES: C=CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 34624-22-1
CAS Name: 1,1-bis[(Z)-3-chloro-4-phenylbut-2-enyl]piperidin-1-ium chloride
OPENEYE Name: 1,1-bis[(Z)-3-chloro-4-phenyl-but-2-enyl]piperidin-1-ium chloride
IUPAC Name: 1,1-bis[(Z)-3-chloro-4-phenylbut-2-enyl]piperidin-1-ium chloride
SYSTEMATIC NAME: 1,1-bis[(Z)-3-chloranyl-4-phenyl-but-2-enyl]piperidin-1-ium chloride
MOLECULAR FORMULA: C25H30Cl3N
MOLECULAR WEIGHT: 450.8714
SMILES: C1CC[N+](CC1)(C/C=C(\Cl)/CC2=CC=CC=C2)C/C=C(\Cl)/CC3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 34624-21-0
CAS Name: 1-[(E)-4-(2-chlorophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium chloride
OPENEYE Name: 1-[(E)-4-(2-chlorophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium chloride
IUPAC Name: 1-[(E)-4-(2-chlorophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium chloride
SYSTEMATIC NAME: 1-[(E)-4-(2-chlorophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium chloride
MOLECULAR FORMULA: C26H33Cl2N
MOLECULAR WEIGHT: 430.45292
SMILES: C/C(=C\C[N+]1(CCCCC1)C/C=C/CC2=CC=CC=C2Cl)/CC3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 34624-20-9
CAS Name: 1-[(Z)-3-chloro-4-(4-methylphenyl)but-2-enyl]-1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium chloride
OPENEYE Name: 1-[(Z)-3-chloro-4-(p-tolyl)but-2-enyl]-1-[(E)-4-(p-tolyl)but-2-enyl]piperidin-1-ium chloride
IUPAC Name: 1-[(Z)-3-chloro-4-(4-methylphenyl)but-2-enyl]-1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium chloride
SYSTEMATIC NAME: 1-[(Z)-3-chloranyl-4-(4-methylphenyl)but-2-enyl]-1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium chloride
MOLECULAR FORMULA: C27H35Cl2N
MOLECULAR WEIGHT: 444.4795
SMILES: CC1=CC=C(C=C1)C/C=C/C[N+]2(CCCCC2)C/C=C(/CC3=CC=C(C=C3)C)\Cl.[Cl-]
Structure:
CAS RN: 34619-99-3
CAS Name: 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine hydrochloride
OPENEYE Name: 1-[(E)-4-(p-tolyl)but-2-enyl]piperidine hydrochloride
IUPAC Name: 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine hydrochloride
SYSTEMATIC NAME: 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine hydrochloride
MOLECULAR FORMULA: C16H24ClN
MOLECULAR WEIGHT: 265.82146
SMILES: CC1=CC=C(C=C1)C/C=C/CN2CCCCC2.Cl
Structure:
CAS RN: 34552-25-5
CAS Name: 1-[(Z)-3-chloro-4-phenylbut-2-enyl]-1-[(E)-4-phenylbut-2-enyl]piperidin-1-ium chloride
OPENEYE Name: 1-[(Z)-3-chloro-4-phenyl-but-2-enyl]-1-[(E)-4-phenylbut-2-enyl]piperidin-1-ium chloride
IUPAC Name: 1-[(Z)-3-chloro-4-phenylbut-2-enyl]-1-[(E)-4-phenylbut-2-enyl]piperidin-1-ium chloride
SYSTEMATIC NAME: 1-[(Z)-3-chloranyl-4-phenyl-but-2-enyl]-1-[(E)-4-phenylbut-2-enyl]piperidin-1-ium chloride
MOLECULAR FORMULA: C25H31Cl2N
MOLECULAR WEIGHT: 416.42634
SMILES: C1CC[N+](CC1)(C/C=C/CC2=CC=CC=C2)C/C=C(/CC3=CC=CC=C3)\Cl.[Cl-]
Structure:
CAS RN: 34552-19-7
CAS Name: 1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium chloride
OPENEYE Name: 1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium chloride
IUPAC Name: 1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium chloride
SYSTEMATIC NAME: 1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium chloride
MOLECULAR FORMULA: C26H33BrClN
MOLECULAR WEIGHT: 474.90392
SMILES: C/C(=C\C[N+]1(CCCCC1)C/C=C/CC2=CC=CC=C2Br)/CC3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 34552-18-6
CAS Name: 1,1-bis[(Z)-3-chloro-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium chloride
OPENEYE Name: 1,1-bis[(Z)-3-chloro-4-(p-tolyl)but-2-enyl]piperidin-1-ium chloride
IUPAC Name: 1,1-bis[(Z)-3-chloro-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium chloride
SYSTEMATIC NAME: 1,1-bis[(Z)-3-chloranyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium chloride
MOLECULAR FORMULA: C27H34Cl3N
MOLECULAR WEIGHT: 478.92456
SMILES: CC1=CC=C(C=C1)C/C(=C/C[N+]2(CCCCC2)C/C=C(\Cl)/CC3=CC=C(C=C3)C)/Cl.[Cl-]
Structure:
CAS RN: 34552-12-0
CAS Name: 1,1-bis[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium chloride
OPENEYE Name: 1,1-bis[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium chloride
IUPAC Name: 1,1-bis[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium chloride
SYSTEMATIC NAME: 1,1-bis[(Z)-3-chloranyl-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium chloride
MOLECULAR FORMULA: C27H34Cl3NO2
MOLECULAR WEIGHT: 510.92336
SMILES: COC1=CC=C(C=C1)C/C(=C/C[N+]2(CCCCC2)C/C=C(\Cl)/CC3=CC=C(C=C3)OC)/Cl.[Cl-]
Structure:

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