CAS RN: 143317-74-2
CAS Name: [(Z)-docos-13-enyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(Z)-docos-13-enyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(Z)-docos-13-enyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(Z)-docos-13-enyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C27H56NO4P
MOLECULAR WEIGHT: 489.711601
SMILES: CCCCCCCC/C=C\CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
Structure:
CAS RN: 143306-00-7
CAS Name: N-(2-aminoethyl)-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide
OPENEYE Name: N-(2-aminoethyl)-N-[2-[[(E)-3-(4-chlorophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide
IUPAC Name: N-(2-aminoethyl)-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
SYSTEMATIC NAME: N-(2-azanylethyl)-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
MOLECULAR FORMULA: C22H25ClN4O2S
MOLECULAR WEIGHT: 444.9775
SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCN)CCNC/C=C/C3=CC=C(C=C3)Cl
Structure:
CAS RN: 143288-65-7
CAS Name: (Z)-7,8-dihydroxy-9-octadecenoic acid
OPENEYE Name: (Z)-7,8-dihydroxyoctadec-9-enoic acid
IUPAC Name: (Z)-7,8-dihydroxyoctadec-9-enoic acid
SYSTEMATIC NAME: (Z)-7,8-bis(oxidanyl)octadec-9-enoic acid
MOLECULAR FORMULA: C18H34O4
MOLECULAR WEIGHT: 314.46016
SMILES: CCCCCCCC/C=C\C(C(CCCCCC(=O)O)O)O
Structure:
CAS RN: 143134-34-3
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-(propylamino)but-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-(propylamino)but-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-(propylamino)but-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E)-3-oxidanyl-4-(propylamino)but-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C19H33NO5
MOLECULAR WEIGHT: 355.46902
SMILES: CCCNCC(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
Structure:
CAS RN: 143110-70-7
CAS Name: (E)-2-butenedioic acid; 1-(3-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine
OPENEYE Name: 1-[(E)-cinnamyl]-4-(3-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-fluoranyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine
MOLECULAR FORMULA: C35H35FN2O9
MOLECULAR WEIGHT: 646.658803
SMILES: C1N(CCN(C1)C2C3=CC=CC=C3COC4=C2C=CC(=C4)F)C/C=C/C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 143023-08-9
CAS Name: 2,3-bis[10-[(2E,4E)-1-oxohexa-2,4-dienoxy]decoxy]propyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: 2,3-bis[10-[(2E,4E)-hexa-2,4-dienoyl]oxydecoxy]propyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: 2,3-bis[10-[(2E,4E)-hexa-2,4-dienoyl]oxydecoxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: 2,3-bis[10-[(2E,4E)-hexa-2,4-dienoyl]oxydecoxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C40H72NO10P
MOLECULAR WEIGHT: 757.974141
SMILES: C/C=C/C=C/C(=O)OCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCOC(=O)/C=C/C=C/C
Structure:
CAS RN: 142808-37-5
CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(4aS,5R,6S,8aR)-5-[(E)-5-(6-amino-9-methyl-7,8-dihydropurin-7-ium-7-yl)-3-methylpent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl ester
OPENEYE Name: [(4aS,5R,6S,8aR)-5-[(E)-5-(6-amino-9-methyl-7,8-dihydropurin-7-ium-7-yl)-3-methyl-pent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl 4-bromo-1H-pyrrole-2-carboxylate
IUPAC Name: [(4aS,5R,6S,8aR)-5-[(E)-5-(6-amino-9-methyl-7,8-dihydropurin-7-ium-7-yl)-3-methylpent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl 4-bromo-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: [(4aS,5R,6S,8aR)-5-[(E)-5-(6-azanyl-9-methyl-7,8-dihydropurin-7-ium-7-yl)-3-methyl-pent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl 4-bromanyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C31H44BrN6O2+
MOLECULAR WEIGHT: 612.62406
SMILES: C[C@H]1CC[C@@]2([C@H]([C@]1(C)CC/C(=C/C[NH+]3CN(C4=C3C(=NC=N4)N)C)/C)CCC=C2COC(=O)C5=CC(=CN5)Br)C
Structure:
CAS RN: 142750-40-1
CAS Name: (1R,3S,3aR,5S,8Z,12R,12aR)-1,3,12-trihydroxy-3,8,12-trimethyl-5-propan-2-yl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione
OPENEYE Name: (1R,3S,3aR,5S,8Z,12R,12aR)-1,3,12-trihydroxy-5-isopropyl-3,8,12-trimethyl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione
IUPAC Name: (1R,3S,3aR,5S,8Z,12R,12aR)-1,3,12-trihydroxy-3,8,12-trimethyl-5-propan-2-yl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione
SYSTEMATIC NAME: (1R,3S,3aR,5S,8Z,12R,12aR)-3,8,12-trimethyl-1,3,12-tris(oxidanyl)-5-propan-2-yl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione
MOLECULAR FORMULA: C20H32O5
MOLECULAR WEIGHT: 352.46508
SMILES: C/C/1=C/C(=O)C[C@@]([C@H]2[C@@H](C[C@]([C@@H]2C(=O)[C@@H](CC1)C(C)C)(C)O)O)(C)O
Structure:
CAS RN: 142678-05-5
CAS Name: (4S)-4-amino-5-[(2R)-2-amino-3-[[(Z)-1,2-dichloroethenyl]thio]-1-oxopropoxy]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-amino-5-[(2R)-2-amino-3-[(Z)-1,2-dichlorovinyl]sulfanyl-propanoyl]oxy-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-amino-5-[(2R)-2-amino-3-[(Z)-1,2-dichloroethenyl]sulfanylpropanoyl]oxy-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[(2R)-2-azanyl-3-[(Z)-1,2-bis(chloranyl)ethenyl]sulfanyl-propanoyl]oxy-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C10H14Cl2N2O5S
MOLECULAR WEIGHT: 345.19956
SMILES: C(CC(=O)O)[C@@H](C(=O)OC(=O)[C@H](CS/C(=C/Cl)/Cl)N)N
Structure:
CAS RN: 78130-17-3
CAS Name: 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)-2-imidazolyl]azo]-1-imidazolyl]-3-methoxy-2-propanol
OPENEYE Name: 1-[2-[(E)-[1-(2-hydroxy-3-methoxy-propyl)imidazol-2-yl]azo]imidazol-1-yl]-3-methoxy-propan-2-ol
IUPAC Name: 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol
SYSTEMATIC NAME: 1-methoxy-3-[2-[(E)-[1-(3-methoxy-2-oxidanyl-propyl)imidazol-2-yl]diazenyl]imidazol-1-yl]propan-2-ol
MOLECULAR FORMULA: C14H22N6O4
MOLECULAR WEIGHT: 338.36228
SMILES: COCC(CN1C=CN=C1/N=N/C2=NC=CN2CC(COC)O)O
Structure:
CAS RN: 77862-93-2
CAS Name: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine; methanesulfonic acid
OPENEYE Name: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-cinnamyl]piperazine; methanesulfonic acid
IUPAC Name: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine; methanesulfonic acid
SYSTEMATIC NAME: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine; methanesulfonic acid
MOLECULAR FORMULA: C30H38F2N2O7S2
MOLECULAR WEIGHT: 640.758726
SMILES: CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C/C=C/C4=CC=CC=C4
Structure:
CAS RN: 77836-86-3
CAS Name: (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-propen-1-ol
OPENEYE Name: (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxy-phenyl]prop-2-en-1-ol
IUPAC Name: (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]prop-2-en-1-ol
SYSTEMATIC NAME: (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxy-phenyl]prop-2-en-1-ol
MOLECULAR FORMULA: C21H30O4
MOLECULAR WEIGHT: 346.4605
SMILES: CC(=CCC/C(=C/COC1=C(C=C(C=C1OC)/C=C/CO)OC)/C)C
Structure:
CAS RN: 142449-95-4
CAS Name: (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxidanylidene-6-[(E)-4-oxidanylidenebut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C18H23NO6S
MOLECULAR WEIGHT: 381.44332
SMILES: CC1([C@@H](N2[C@H](S1)/C(=C\C=C\C=O)/C2=O)C(=O)OCOC(=O)C(C)(C)C)C
Structure:
CAS RN: 142154-46-9
CAS Name: (Z)-3-acetyloxy-2-butenoic acid [(8R,9S,10R,13S,14S)-3-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S)-3-acetoxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (Z)-3-acetoxybut-2-enoate
IUPAC Name: [(8R,9S,10R,13S,14S)-3-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (Z)-3-acetyloxybut-2-enoate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S)-3-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (Z)-3-acetyloxybut-2-enoate
MOLECULAR FORMULA: C28H36O6
MOLECULAR WEIGHT: 468.58184
SMILES: C/C(=C/C(=O)OC1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(CC[C@H]34)OC(=O)C)C)C#C)/OC(=O)C
Structure:
CAS RN: 141894-65-7
CAS Name: 2-hydroxy-3-[(1Z,3Z,5Z,7Z)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one
OPENEYE Name: 2-hydroxy-3-[(1Z,3Z,5Z,7Z)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one
IUPAC Name: 2-hydroxy-3-[(1Z,3Z,5Z,7Z)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one
SYSTEMATIC NAME: 2-oxidanyl-3-[(1Z,3Z,5Z,7Z)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one
MOLECULAR FORMULA: C18H16O3
MOLECULAR WEIGHT: 280.31784
SMILES: C1=CC=C(C=C1)/C=C\C=C/C=C\C=C/C2=CC(=O)OC2O
Structure:
CAS RN: 141545-50-8
CAS Name: (E)-2-butenedioic acid; 5-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-thiazolamine
OPENEYE Name: 5-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thiazol-2-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 5-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 5-chloranyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C13H16ClN3O4S
MOLECULAR WEIGHT: 345.80184
SMILES: CN1CCC=C(C1)C2=C(SC(=N2)N)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 141545-49-5
CAS Name: 2-amino-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiazolecarbonitrile; (E)-2-butenedioic acid
OPENEYE Name: 2-amino-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiazole-5-carbonitrile; fumaric acid
IUPAC Name: 2-amino-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole-5-carbonitrile; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 2-azanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole-5-carbonitrile; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C14H16N4O4S
MOLECULAR WEIGHT: 336.36624
SMILES: CN1CCC(=CC1)C2=C(SC(=N2)N)C#N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 141426-89-3
CAS Name: (E)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopentan-2-yl]amino]-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-[[(1S)-1-[[(2S)-2-[[(1S)-1-formyl-4-guanidino-butyl]amino]-4-methyl-pentanoyl]carbamoyl]-4-guanidino-butyl]amino]-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methylpentanoyl]amino]-1-oxopentan-2-yl]amino]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-pentanoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C22H39N9O6
MOLECULAR WEIGHT: 525.60176
SMILES: CC(C)C[C@@H](C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)/C=C/C(=O)O)N[C@@H](CCCN=C(N)N)C=O
Structure:
CAS RN: 141363-92-0
CAS Name: 2-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]acetic acid [4-methoxy-5-methyl-2-[(2E,4E,6E)-octa-2,4,6-trien-2-yl]-3-oxanyl] ester
OPENEYE Name: [4-methoxy-5-methyl-2-[(1E,3E,5E)-1-methylhepta-1,3,5-trienyl]tetrahydropyran-3-yl] 2-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]acetate
IUPAC Name: [4-methoxy-5-methyl-2-[(2E,4E,6E)-octa-2,4,6-trien-2-yl]oxan-3-yl] 2-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]acetate
SYSTEMATIC NAME: [4-methoxy-5-methyl-2-[(2E,4E,6E)-octa-2,4,6-trien-2-yl]oxan-3-yl] 2-[[(2R,3S,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]ethanoate
MOLECULAR FORMULA: C23H37NO9
MOLECULAR WEIGHT: 471.54118
SMILES: C/C=C/C=C/C=C(\C)/C1C(C(C(CO1)C)OC)OC(=O)CN[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O
Structure:
CAS RN: 141267-40-5
CAS Name: (E,3R,5S)-7-[4-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3-isoquinolinyl]-3,5-dihydroxy-6-heptenoic acid
OPENEYE Name: (E,3R,5S)-7-[4-(4-fluorophenyl)-2-isopropyl-1-oxo-3-isoquinolyl]-3,5-dihydroxy-hept-6-enoic acid
IUPAC Name: (E,3R,5S)-7-[4-(4-fluorophenyl)-1-oxo-2-propan-2-ylisoquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
SYSTEMATIC NAME: (E,3R,5S)-7-[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]-3,5-bis(oxidanyl)hept-6-enoic acid
MOLECULAR FORMULA: C25H26FNO5
MOLECULAR WEIGHT: 439.476043
SMILES: CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O
Structure:
CAS RN: 141117-03-5
CAS Name: (4R,6S)-6-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-(2-pyrazinyl)-4-pyrazolyl]ethenyl]-4-hydroxy-2-oxanone
OPENEYE Name: (4R,6S)-6-[(E)-2-[5-(4-fluorophenyl)-3-isopropyl-1-pyrazin-2-yl-pyrazol-4-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one
IUPAC Name: (4R,6S)-6-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyrazin-2-ylpyrazol-4-yl]ethenyl]-4-hydroxyoxan-2-one
SYSTEMATIC NAME: (4R,6S)-6-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyrazin-2-yl-pyrazol-4-yl]ethenyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C23H23FN4O3
MOLECULAR WEIGHT: 422.452123
SMILES: CC(C)C1=NN(C(=C1/C=C/[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=NC=CN=C4
Structure:
CAS RN: 141117-01-3
CAS Name: 6-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-(2-pyridinyl)-4-pyrazolyl]ethenyl]-4-hydroxy-2-oxanone
OPENEYE Name: 6-[(E)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-pyridyl)pyrazol-4-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one
IUPAC Name: 6-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]ethenyl]-4-hydroxyoxan-2-one
SYSTEMATIC NAME: 6-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-yl-pyrazol-4-yl]ethenyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C24H24FN3O3
MOLECULAR WEIGHT: 421.464063
SMILES: CC(C)C1=NN(C(=C1/C=C/C2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=N4
Structure:
CAS RN: 141034-43-7
CAS Name: (E)-3-(4-chlorophenyl)-N,N-dimethyl-6-phenyl-5-hexen-3-amine hydrochloride
OPENEYE Name: (E)-3-(4-chlorophenyl)-N,N-dimethyl-6-phenyl-hex-5-en-3-amine hydrochloride
IUPAC Name: (E)-3-(4-chlorophenyl)-N,N-dimethyl-6-phenylhex-5-en-3-amine hydrochloride
SYSTEMATIC NAME: (E)-3-(4-chlorophenyl)-N,N-dimethyl-6-phenyl-hex-5-en-3-amine hydrochloride
MOLECULAR FORMULA: C20H25Cl2N
MOLECULAR WEIGHT: 350.3252
SMILES: CCC(C/C=C/C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)N(C)C.Cl
Structure:
CAS RN: 140890-71-7
CAS Name: (Z)-2-butenedioic acid; N-ethyl-N-[[4-fluoro-2-(4-fluorophenyl)phenyl]methoxy]-2-phenylethanamine
OPENEYE Name: N-ethyl-N-[[4-fluoro-2-(4-fluorophenyl)phenyl]methoxy]-2-phenyl-ethanamine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N-ethyl-N-[[4-fluoro-2-(4-fluorophenyl)phenyl]methoxy]-2-phenylethanamine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N-ethyl-N-[[4-fluoranyl-2-(4-fluorophenyl)phenyl]methoxy]-2-phenyl-ethanamine
MOLECULAR FORMULA: C27H27F2NO5
MOLECULAR WEIGHT: 483.503786
SMILES: CCN(CCC1=CC=CC=C1)OCC2=C(C=C(C=C2)F)C3=CC=C(C=C3)F.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 140646-80-6
CAS Name: 2,2-diethyl-4-oxo-4-[3-[(E)-2-(4-propan-2-yl-2-thiazolyl)ethenyl]anilino]butanoic acid
OPENEYE Name: 2,2-diethyl-4-[3-[(E)-2-(4-isopropylthiazol-2-yl)vinyl]anilino]-4-oxo-butanoic acid
IUPAC Name: 2,2-diethyl-4-oxo-4-[3-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]anilino]butanoic acid
SYSTEMATIC NAME: 2,2-diethyl-4-oxidanylidene-4-[[3-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]phenyl]amino]butanoic acid
MOLECULAR FORMULA: C22H28N2O3S
MOLECULAR WEIGHT: 400.53432
SMILES: CCC(CC)(CC(=O)NC1=CC=CC(=C1)/C=C/C2=NC(=CS2)C(C)C)C(=O)O
Structure:
CAS RN: 140631-65-8
CAS Name: (4R,5R,6E)-6-(2-hydroxyethylidene)-4-methyl-7-oxo-3-(2-pyridinylmethylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (4R,5R,6E)-6-(2-hydroxyethylidene)-4-methyl-7-oxo-3-(2-pyridylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (4R,5R,6E)-6-(2-hydroxyethylidene)-4-methyl-7-oxo-3-(pyridin-2-ylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (4R,5R,6E)-4-methyl-6-(2-oxidanylethylidene)-7-oxidanylidene-3-(pyridin-2-ylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H16N2O4S
MOLECULAR WEIGHT: 332.37424
SMILES: C[C@@H]1[C@@H]2/C(=C\CO)/C(=O)N2C(=C1SCC3=CC=CC=N3)C(=O)O
Structure:
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