CAS RN: 155857-75-3
CAS Name: 1-cyclopropyl-7,8-dimethoxy-3-methyl-4,5-dihydro-1H-2,3-benzoxazepine
OPENEYE Name: 1-cyclopropyl-7,8-dimethoxy-3-methyl-4,5-dihydro-1H-2,3-benzoxazepine
IUPAC Name: 1-cyclopropyl-7,8-dimethoxy-3-methyl-4,5-dihydro-1H-2,3-benzoxazepine
SYSTEMATIC NAME: 1-cyclopropyl-7,8-dimethoxy-3-methyl-4,5-dihydro-1H-2,3-benzoxazepine
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: CN1CCC2=CC(=C(C=C2C(O1)C3CC3)OC)OC
Structure:
CAS RN: 184900-71-8
CAS Name: (2S,3S)-2-(2,4-dimethoxyphenyl)-3-methyl-6-phenylmethoxy-2,3-dihydrobenzofuran-5-ol
OPENEYE Name: (2S,3S)-6-benzyloxy-2-(2,4-dimethoxyphenyl)-3-methyl-2,3-dihydrobenzofuran-5-ol
IUPAC Name: (2S,3S)-2-(2,4-dimethoxyphenyl)-3-methyl-6-phenylmethoxy-2,3-dihydro-1-benzofuran-5-ol
SYSTEMATIC NAME: (2S,3S)-2-(2,4-dimethoxyphenyl)-3-methyl-6-phenylmethoxy-2,3-dihydro-1-benzofuran-5-ol
MOLECULAR FORMULA: C24H24O5
MOLECULAR WEIGHT: 392.44436
SMILES: C[C@@H]1[C@H](OC2=CC(=C(C=C12)O)OCC3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC
Structure:
CAS RN: 184900-83-2
CAS Name: (6aS,11aS)-N,N-diethyl-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-7-amine
OPENEYE Name: (6aS,11aS)-9-benzyloxy-N,N-diethyl-3-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-7-amine
IUPAC Name: (6aS,11aS)-N,N-diethyl-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-7-amine
SYSTEMATIC NAME: (6aS,11aS)-N,N-diethyl-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-7-amine
MOLECULAR FORMULA: C27H29NO4
MOLECULAR WEIGHT: 431.52346
SMILES: CCN(CC)C1=CC(=CC2=C1[C@H]3COC4=C([C@H]3O2)C=CC(=C4)OC)OCC5=CC=CC=C5
Structure:
CAS RN: 18596-67-3
CAS Name: (6aS,11aS)-N,N-diethyl-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-7-amine
OPENEYE Name: (6aS,11aS)-9-benzyloxy-N,N-diethyl-3-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-7-amine
IUPAC Name: (6aS,11aS)-N,N-diethyl-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-7-amine
SYSTEMATIC NAME: (6aS,11aS)-N,N-diethyl-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-7-amine
MOLECULAR FORMULA: C27H29NO4
MOLECULAR WEIGHT: 431.52346
SMILES: CCN(CC)C1=CC(=CC2=C1[C@H]3COC4=C([C@H]3O2)C=CC(=C4)OC)OCC5=CC=CC=C5
Structure:
CAS RN: 184900-59-2
CAS Name: (6aS,11aS)-3-methoxy-11a-methyl-9-phenylmethoxy-6,6a-dihydrobenzofuro[3,2-c][1]benzopyran-8-ol
OPENEYE Name: (6aS,11aS)-9-benzyloxy-3-methoxy-11a-methyl-6,6a-dihydrobenzofuro[3,2-c]chromen-8-ol
IUPAC Name: (6aS,11aS)-3-methoxy-11a-methyl-9-phenylmethoxy-6,6a-dihydro-[1]benzofuro[3,2-c]chromen-8-ol
SYSTEMATIC NAME: (6aS,11aS)-3-methoxy-11a-methyl-9-phenylmethoxy-6,6a-dihydro-[1]benzofuro[3,2-c]chromen-8-ol
MOLECULAR FORMULA: C24H22O5
MOLECULAR WEIGHT: 390.42848
SMILES: C[C@]12[C@H](COC3=C1C=CC(=C3)OC)C4=CC(=C(C=C4O2)OCC5=CC=CC=C5)O
Structure:
CAS RN: 184900-70-7
CAS Name: (2S,3R)-3-(methoxymethyl)-2-(4-methoxyphenyl)-6-phenylmethoxy-2,3-dihydrobenzofuran-5-ol
OPENEYE Name: (2S,3R)-6-benzyloxy-3-(methoxymethyl)-2-(4-methoxyphenyl)-2,3-dihydrobenzofuran-5-ol
IUPAC Name: (2S,3R)-3-(methoxymethyl)-2-(4-methoxyphenyl)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-5-ol
SYSTEMATIC NAME: (2S,3R)-3-(methoxymethyl)-2-(4-methoxyphenyl)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-5-ol
MOLECULAR FORMULA: C24H24O5
MOLECULAR WEIGHT: 392.44436
SMILES: COC[C@@H]1[C@H](OC2=CC(=C(C=C12)O)OCC3=CC=CC=C3)C4=CC=C(C=C4)OC
Structure:
CAS RN: 168648-78-0
CAS Name: (6aS,11aS)-3-methoxy-5-(4-methylphenyl)sulfonyl-9-phenylmethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]quinolin-8-ol
OPENEYE Name: (6aS,11aS)-9-benzyloxy-3-methoxy-5-(p-tolylsulfonyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]quinolin-8-ol
IUPAC Name: (6aS,11aS)-3-methoxy-5-(4-methylphenyl)sulfonyl-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]quinolin-8-ol
SYSTEMATIC NAME: (6aS,11aS)-3-methoxy-5-(4-methylphenyl)sulfonyl-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]quinolin-8-ol
MOLECULAR FORMULA: C30H27NO6S
MOLECULAR WEIGHT: 529.60348
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3[C@@H](C4=C2C=C(C=C4)OC)OC5=CC(=C(C=C35)O)OCC6=CC=CC=C6
Structure:
CAS RN: 54648-79-2
CAS Name: N,N'-di(propan-2-yl)carbamimidic acid methyl ester
OPENEYE Name: 1,3-diisopropyl-2-methyl-isourea
IUPAC Name: methyl N,N'-di(propan-2-yl)carbamimidate
SYSTEMATIC NAME: methyl N,N'-di(propan-2-yl)carbamimidate
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: CC(C)NC(=NC(C)C)OC
Structure:
CAS RN: 256333-13-8
CAS Name: N-[1,1,1,3,3,3-hexafluoro-2-(2-pyrimidinylamino)propan-2-yl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[2,2,2-trifluoro-1-(pyrimidin-2-ylamino)-1-(trifluoromethyl)ethyl]carbamate
IUPAC Name: ethyl N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(pyrimidin-2-ylamino)propan-2-yl]carbamate
MOLECULAR FORMULA: C10H10F6N4O2
MOLECULAR WEIGHT: 332.202419
SMILES: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=CC=N1
Structure:
CAS RN: 83150-76-9
CAS Name: 10-(4-aminobutyl)-19-[(2-amino-1-oxo-3-phenylpropyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carboxamide
OPENEYE Name: 10-(4-aminobutyl)-19-[(2-amino-3-phenyl-propanoyl)amino]-16-benzyl-7-(1-hydroxyethyl)-N-[2-hydroxy-1-(hydroxymethyl)propyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
IUPAC Name: 10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
SYSTEMATIC NAME: 10-(4-azanylbutyl)-19-[(2-azanyl-3-phenyl-propanoyl)amino]-N-[1,3-bis(oxidanyl)butan-2-yl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentakis(oxidanylidene)-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
MOLECULAR FORMULA: C49H66N10O10S2
MOLECULAR WEIGHT: 1019.23934
SMILES: CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O
Structure:
CAS RN: 79517-01-4
CAS Name: acetic acid; 10-(4-aminobutyl)-19-[(2-amino-1-oxo-3-phenylpropyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carboxamide
OPENEYE Name: acetic acid; 10-(4-aminobutyl)-19-[(2-amino-3-phenyl-propanoyl)amino]-16-benzyl-7-(1-hydroxyethyl)-N-[2-hydroxy-1-(hydroxymethyl)propyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
IUPAC Name: acetic acid; 10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
SYSTEMATIC NAME: 10-(4-azanylbutyl)-19-[(2-azanyl-3-phenyl-propanoyl)amino]-N-[1,3-bis(oxidanyl)butan-2-yl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentakis(oxidanylidene)-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide; ethano
MOLECULAR FORMULA: C51H70N10O12S2
MOLECULAR WEIGHT: 1079.2913
SMILES: CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O.CC(=O)O
Structure:
CAS RN: 148238-46-4
CAS Name: acetic acid [4-[1-(4-fluorophenyl)-3-oxo-1-isobenzofuranyl]-3-methylphenyl] ester
OPENEYE Name: [4-[1-(4-fluorophenyl)-3-oxo-isobenzofuran-1-yl]-3-methyl-phenyl] acetate
IUPAC Name: [4-[1-(4-fluorophenyl)-3-oxo-2-benzofuran-1-yl]-3-methylphenyl] acetate
SYSTEMATIC NAME: [4-[1-(4-fluorophenyl)-3-oxidanylidene-2-benzofuran-1-yl]-3-methyl-phenyl] ethanoate
MOLECULAR FORMULA: C23H17FO4
MOLECULAR WEIGHT: 376.377083
SMILES: CC1=C(C=CC(=C1)OC(=O)C)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F
Structure:
CAS RN: 128944-81-0
CAS Name: 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-2-imidazolidinethione
OPENEYE Name: 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]imidazolidine-2-thione
IUPAC Name: 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]imidazolidine-2-thione
SYSTEMATIC NAME: 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]imidazolidine-2-thione
MOLECULAR FORMULA: C32H31N5O3S
MOLECULAR WEIGHT: 565.68524
SMILES: CN(C)C1=CC=C(C=C1)N2C(=NC3=CC=C(C=C3)OC)C(=NC4=CC=C(C=C4)OC)N(C2=S)C5=CC=C(C=C5)OC
Structure:
CAS RN: 129741-56-6
CAS Name: 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-2-imidazolidinethione
OPENEYE Name: 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]imidazolidine-2-thione
IUPAC Name: 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]imidazolidine-2-thione
SYSTEMATIC NAME: 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]imidazolidine-2-thione
MOLECULAR FORMULA: C32H31N5O3S
MOLECULAR WEIGHT: 565.68524
SMILES: CN(C)C1=CC=C(C=C1)N2C(=NC3=CC=C(C=C3)OC)C(=NC4=CC=C(C=C4)OC)N(C2=S)C5=CC=C(C=C5)OC
Structure:
CAS RN: 66036-38-2
CAS Name: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
OPENEYE Name: 3-(4-hydroxyphenyl)chroman-7-ol
IUPAC Name: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
Structure:
CAS RN: 143224-34-4
CAS Name: (2S)-N-[(2S,3R)-4-[[(tert-butylamino)-oxomethyl]-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide
OPENEYE Name: (2S)-N-[(1S,2R)-1-benzyl-3-[tert-butylcarbamoyl(isobutyl)amino]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide
IUPAC Name: (2S)-N-[(2S,3R)-4-[tert-butylcarbamoyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
SYSTEMATIC NAME: (2S)-N-[(2S,3R)-4-[tert-butylcarbamoyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
MOLECULAR FORMULA: C33H44N6O5
MOLECULAR WEIGHT: 604.73966
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)C(=O)NC(C)(C)C
Structure:
CAS RN: 13849-91-7
CAS Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
OPENEYE Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
IUPAC Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-1,10-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
MOLECULAR FORMULA: C30H48O4
MOLECULAR WEIGHT: 472.69972
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
Structure:
CAS RN: 183904-54-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H24O5
MOLECULAR WEIGHT: 368.42296
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)[C@H]([C@@H](O4)C)C
Structure:
CAS RN: 18489-25-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H24O5
MOLECULAR WEIGHT: 368.42296
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)[C@H]([C@@H](O4)C)C
Structure:
CAS RN: 151005-67-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H24O5
MOLECULAR WEIGHT: 368.42296
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)[C@H]([C@@H](O4)C)C
Structure:
CAS RN: 469-38-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: CC(CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
Structure:
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