CAS RN: 20070-52-4
CAS Name: (E)-2-butenedioic acid; 3-(1-cyclohexyl-3-pyrrolidinyl)-1,1-diphenylurea
OPENEYE Name: 3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenyl-urea; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenyl-urea
MOLECULAR FORMULA: C27H33N3O5
MOLECULAR WEIGHT: 479.56802
SMILES: C1CCC(CC1)N2CCC(C2)NC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 20068-92-2
CAS Name: (Z)-2-butenedioic acid; 2-(1,2-diphenylethyl)-3-piperidinol
OPENEYE Name: 2-(1,2-diphenylethyl)piperidin-3-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 2-(1,2-diphenylethyl)piperidin-3-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-(1,2-diphenylethyl)piperidin-3-ol
MOLECULAR FORMULA: C23H27NO5
MOLECULAR WEIGHT: 397.46418
SMILES: C1CC(C(NC1)C(CC2=CC=CC=C2)C3=CC=CC=C3)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 20068-87-5
CAS Name: (Z)-2-butenedioic acid; 2-(diphenylmethyl)-3-methoxypiperidine
OPENEYE Name: 2-benzhydryl-3-methoxy-piperidine; maleic acid
IUPAC Name: 2-benzhydryl-3-methoxypiperidine; (Z)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-(diphenylmethyl)-3-methoxy-piperidine
MOLECULAR FORMULA: C23H27NO5
MOLECULAR WEIGHT: 397.46418
SMILES: COC1CCCNC1C(C2=CC=CC=C2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 20052-96-4
CAS Name: 2-[[3-[(2-hydroxyphenyl)methyl]-2-[(E)-2-phenylprop-1-enyl]-1-imidazolidinyl]methyl]phenol
OPENEYE Name: 2-[[3-[(2-hydroxyphenyl)methyl]-2-[(E)-2-phenylprop-1-enyl]imidazolidin-1-yl]methyl]phenol
IUPAC Name: 2-[[3-[(2-hydroxyphenyl)methyl]-2-[(E)-2-phenylprop-1-enyl]imidazolidin-1-yl]methyl]phenol
SYSTEMATIC NAME: 2-[[3-[(2-hydroxyphenyl)methyl]-2-[(E)-2-phenylprop-1-enyl]imidazolidin-1-yl]methyl]phenol
MOLECULAR FORMULA: C26H28N2O2
MOLECULAR WEIGHT: 400.51272
SMILES: C/C(=C\C1N(CCN1CC2=CC=CC=C2O)CC3=CC=CC=C3O)/C4=CC=CC=C4
Structure:
CAS RN: 19967-89-6
CAS Name: 5-methyl-3-(4-morpholinylmethyl)-5-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
OPENEYE Name: 5-methyl-3-(morpholinomethyl)-5-[(E)-styryl]imidazolidine-2,4-dione
IUPAC Name: 5-methyl-3-(morpholin-4-ylmethyl)-5-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-methyl-3-(morpholin-4-ylmethyl)-5-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C17H21N3O3
MOLECULAR WEIGHT: 315.36694
SMILES: CC1(C(=O)N(C(=O)N1)CN2CCOCC2)/C=C/C3=CC=CC=C3
Structure:
CAS RN: 19967-81-8
CAS Name: 5-methyl-3-[[4-[[4-methyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-1-imidazolidinyl]methyl]-1-piperazinyl]methyl]-5-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
OPENEYE Name: 5-methyl-3-[[4-[[4-methyl-2,5-dioxo-4-[(E)-styryl]imidazolidin-1-yl]methyl]piperazin-1-yl]methyl]-5-[(E)-styryl]imidazolidine-2,4-dione
IUPAC Name: 5-methyl-3-[[4-[[4-methyl-2,5-dioxo-4-[(E)-2-phenylethenyl]imidazolidin-1-yl]methyl]piperazin-1-yl]methyl]-5-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-methyl-3-[[4-[[4-methyl-2,5-bis(oxidanylidene)-4-[(E)-2-phenylethenyl]imidazolidin-1-yl]methyl]piperazin-1-yl]methyl]-5-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C30H34N6O4
MOLECULAR WEIGHT: 542.62876
SMILES: CC1(NC(=O)N(C1=O)CN2CCN(CC2)CN3C(=O)NC(C3=O)(/C=C/C4=CC=CC=C4)C)/C=C/C5=CC=CC=C5
Structure:
CAS RN: 19950-80-2
CAS Name: (Z)-2-butenedioic acid; N-(4-dibenzothiophenylmethyl)-N',N'-diethylethane-1,2-diamine
OPENEYE Name: N-(dibenzothiophen-4-ylmethyl)-N',N'-diethyl-ethane-1,2-diamine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N-(dibenzothiophen-4-ylmethyl)-N',N'-diethylethane-1,2-diamine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N-(dibenzothiophen-4-ylmethyl)-N',N'-diethyl-ethane-1,2-diamine
MOLECULAR FORMULA: C27H32N2O8S
MOLECULAR WEIGHT: 544.61658
SMILES: CCN(CCNCC1=CC=CC2=C1SC3=CC=CC=C23)CC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 19939-38-9
CAS Name: (E)-2-butenedioic acid; 3-chloro-5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide
OPENEYE Name: 3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-chloranyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
MOLECULAR FORMULA: C23H25ClN2O5S
MOLECULAR WEIGHT: 476.973
SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 19939-37-8
CAS Name: (Z)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-piperidinol
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperidin-4-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperidin-4-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperidin-4-ol
MOLECULAR FORMULA: C23H24ClNO5S
MOLECULAR WEIGHT: 461.95836
SMILES: C1CN(CCC1O)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 19939-36-7
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(phenylmethyl)piperazine
OPENEYE Name: 1-benzyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; fumaric acid
IUPAC Name: 1-benzyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(phenylmethyl)piperazine
MOLECULAR FORMULA: C29H29ClN2O4S
MOLECULAR WEIGHT: 537.06956
SMILES: C1CN(CCN1CC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 19856-74-7
CAS Name: acetic acid [4-[(E)-3-(3-ethyl-4-morpholinyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester
OPENEYE Name: [4-[(E)-3-(3-ethylmorpholin-4-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] acetate
IUPAC Name: [4-[(E)-3-(3-ethylmorpholin-4-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
SYSTEMATIC NAME: [4-[(E)-3-(3-ethylmorpholin-4-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] ethanoate
MOLECULAR FORMULA: C18H23NO5
MOLECULAR WEIGHT: 333.37892
SMILES: CCC1COCCN1C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC
Structure:
CAS RN: 19856-73-6
CAS Name: acetic acid [4-[(E)-3-(2-ethyl-4-morpholinyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester
OPENEYE Name: [4-[(E)-3-(2-ethylmorpholin-4-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] acetate
IUPAC Name: [4-[(E)-3-(2-ethylmorpholin-4-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
SYSTEMATIC NAME: [4-[(E)-3-(2-ethylmorpholin-4-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] ethanoate
MOLECULAR FORMULA: C18H23NO5
MOLECULAR WEIGHT: 333.37892
SMILES: CCC1CN(CCO1)C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC
Structure:
CAS RN: 19856-72-5
CAS Name: acetic acid [2-methoxy-4-[(E)-3-(2-methyl-4-morpholinyl)-3-oxoprop-1-enyl]phenyl] ester
OPENEYE Name: [2-methoxy-4-[(E)-3-(2-methylmorpholin-4-yl)-3-oxo-prop-1-enyl]phenyl] acetate
IUPAC Name: [2-methoxy-4-[(E)-3-(2-methylmorpholin-4-yl)-3-oxoprop-1-enyl]phenyl] acetate
SYSTEMATIC NAME: [2-methoxy-4-[(E)-3-(2-methylmorpholin-4-yl)-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate
MOLECULAR FORMULA: C17H21NO5
MOLECULAR WEIGHT: 319.35234
SMILES: CC1CN(CCO1)C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC
Structure:
CAS RN: 19856-69-0
CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one
OPENEYE Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-1-morpholino-prop-2-en-1-one
IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-morpholin-4-yl-prop-2-en-1-one
MOLECULAR FORMULA: C15H19NO5
MOLECULAR WEIGHT: 293.31506
SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)N2CCOCC2
Structure:
CAS RN: 19739-00-5
CAS Name: (E)-3-(3,5-dibromo-2-hydroxyphenyl)-1-(2,4-dihydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-3-(3,5-dibromo-2-hydroxy-phenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-3-(3,5-dibromo-2-hydroxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-1-[2,4-bis(oxidanyl)phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C15H10Br2O4
MOLECULAR WEIGHT: 414.0455
SMILES: C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC(=CC(=C2O)Br)Br
Structure:
CAS RN: 19702-00-2
CAS Name: (Z)-2-butenedioic acid; 3-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethyl-1-propanamine
OPENEYE Name: 3-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethyl-propan-1-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 3-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C23H26ClNO5S
MOLECULAR WEIGHT: 463.97424
SMILES: CN(C)CCCOC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 19694-27-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23ClN2O3
MOLECULAR WEIGHT: 374.86122
SMILES: C/C=C\1/CNC2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34.Cl
Structure:
CAS RN: 19574-04-0
CAS Name: (Z)-2-butenedioic acid; 4,6-dimethyl-2-pyridin-4-yl-5,6-dihydro-1,3,4-thiadiazine
OPENEYE Name: 4,6-dimethyl-2-(4-pyridyl)-5,6-dihydro-1,3,4-thiadiazine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 4,6-dimethyl-2-pyridin-4-yl-5,6-dihydro-1,3,4-thiadiazine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 4,6-dimethyl-2-pyridin-4-yl-5,6-dihydro-1,3,4-thiadiazine
MOLECULAR FORMULA: C14H17N3O4S
MOLECULAR WEIGHT: 323.36748
SMILES: CC1CN(N=C(S1)C2=CC=NC=C2)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 19545-13-2
CAS Name: (Z)-2-butenedioic acid; 4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methylpiperidine
OPENEYE Name: maleic acid; 4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-piperidine
IUPAC Name: (Z)-but-2-enedioic acid; 4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methylpiperidine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-piperidine
MOLECULAR FORMULA: C25H29NO5S
MOLECULAR WEIGHT: 455.56646
SMILES: CN1CCC(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 19401-64-0
CAS Name: (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-amine; (E)-3-phenyl-2-propenoic acid
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-amine; (E)-3-phenylprop-2-enoic acid
IUPAC Name: (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-amine; (E)-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-amine; (E)-3-phenylprop-2-enoic acid
MOLECULAR FORMULA: C28H37NO2
MOLECULAR WEIGHT: 419.59888
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2N)CC=C4[C@@]3(CCC=C4)C.C1=CC=C(C=C1)/C=C/C(=O)O
Structure:
CAS RN: 19294-76-9
CAS Name: (Z)-2-butenedioic acid; 2-[2-(4-morpholinyl)-1-phenylethyl]-6-propan-2-yloxy-3-pyridazinone
OPENEYE Name: 6-isopropoxy-2-(2-morpholino-1-phenyl-ethyl)pyridazin-3-one; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 2-(2-morpholin-4-yl-1-phenylethyl)-6-propan-2-yloxypyridazin-3-one
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-(2-morpholin-4-yl-1-phenyl-ethyl)-6-propan-2-yloxy-pyridazin-3-one
MOLECULAR FORMULA: C23H29N3O7
MOLECULAR WEIGHT: 459.49226
SMILES: CC(C)OC1=NN(C(=O)C=C1)C(CN2CCOCC2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 19271-17-1
CAS Name: (Z)-2-(2-benzamido-5-methoxyanilino)-2-butenedioic acid dimethyl ester
OPENEYE Name: dimethyl (Z)-2-(2-benzamido-5-methoxy-anilino)but-2-enedioate
IUPAC Name: dimethyl (Z)-2-(2-benzamido-5-methoxyanilino)but-2-enedioate
SYSTEMATIC NAME: dimethyl (Z)-2-[(2-benzamido-5-methoxy-phenyl)amino]but-2-enedioate
MOLECULAR FORMULA: C20H20N2O6
MOLECULAR WEIGHT: 384.3826
SMILES: COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)N/C(=C\C(=O)OC)/C(=O)OC
Structure:
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