CAS RN: 156250-83-8
CAS Name: 2-[2-[bis(2-chloroethyl)amino]ethyl]isoindole-1,3-dione
OPENEYE Name: 2-[2-[bis(2-chloroethyl)amino]ethyl]isoindoline-1,3-dione
IUPAC Name: 2-[2-[bis(2-chloroethyl)amino]ethyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[2-[bis(2-chloroethyl)amino]ethyl]isoindole-1,3-dione
MOLECULAR FORMULA: C14H16Cl2N2O2
MOLECULAR WEIGHT: 315.19504
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCN(CCCl)CCCl
Structure:
CAS RN: 156177-65-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H33N3O5S2
MOLECULAR WEIGHT: 615.76222
SMILES: CCSCC1=CC2=C(C=C1)N3[C@@H]4C[C@@H]([C@](O4)(N5C6=C(C=C(C=C6)CSCC)C7=C8CNC(=O)C8=C2C3=C75)C)C(=O)OOC
Structure:
CAS RN: 170587-65-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H33N3O5S2
MOLECULAR WEIGHT: 615.76222
SMILES: CCSCC1=CC2=C(C=C1)N3[C@@H]4C[C@@H]([C@](O4)(N5C6=C(C=C(C=C6)CSCC)C7=C8CNC(=O)C8=C2C3=C75)C)C(=O)OOC
Structure:
CAS RN: 156161-88-5
CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1-methyl-3-indolyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-carboxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hyd
OPENEYE Name: (3S)-3-amino-4-[[(1S)-2-[[(1R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]hexanoyl]amino]-3-carboxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)me
IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1-methylindol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phen
MOLECULAR FORMULA: C55H66N10O13
MOLECULAR WEIGHT: 1075.17174
SMILES: CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)CNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)O)N)NC(=O)[C@H](CC4=CN(C5=CC=CC=C54)C)N
Structure:
CAS RN: 156153-43-4
CAS Name: 2-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]-methylamino]acetyl chloride
OPENEYE Name: 2-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]-methyl-amino]acetyl chloride
IUPAC Name: 2-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]-methylamino]acetyl chloride
SYSTEMATIC NAME: 2-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]-methyl-amino]ethanoyl chloride
MOLECULAR FORMULA: C11H13ClN4O4S
MOLECULAR WEIGHT: 332.76332
SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N(C)CC(=O)Cl
Structure:
CAS RN: 156143-26-9
CAS Name: 2-(4-bromophenyl)propanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)propanoate
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)propanoate
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)propanoate
MOLECULAR FORMULA: C17H22BrNO2
MOLECULAR WEIGHT: 352.26608
SMILES: CC(C1=CC=C(C=C1)Br)C(=O)OC2CC3CCC(C2)N3C
Structure:
CAS RN: 156007-21-5
CAS Name: 1-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]benzotriazole
OPENEYE Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
IUPAC Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
SYSTEMATIC NAME: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
MOLECULAR FORMULA: C20H25N5O
MOLECULAR WEIGHT: 351.4454
SMILES: COC1=CC=CC=C1N2CCN(CC2)CCCN3C4=CC=CC=C4N=N3
Structure:
CAS RN: 156001-18-2
CAS Name: 2-butyl-1-[[2-fluoro-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxo-4-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-butyl-1-[[2-fluoro-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxo-pyridine-4-carboxylate
IUPAC Name: methyl 2-butyl-1-[[2-fluoro-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxopyridine-4-carboxylate
SYSTEMATIC NAME: methyl 2-butyl-1-[[2-fluoranyl-4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxidanylidene-pyridine-4-carboxylate
MOLECULAR FORMULA: C25H24FN5O3
MOLECULAR WEIGHT: 461.488163
SMILES: CCCCC1=CC(=CC(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3C4=NNN=N4)F)C(=O)OC
Structure:
CAS RN: 155974-00-8
CAS Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
OPENEYE Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
IUPAC Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
SYSTEMATIC NAME: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
MOLECULAR FORMULA: C27H36N2O5
MOLECULAR WEIGHT: 468.58514
SMILES: CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC
Structure:
CAS RN: 148870-61-5
CAS Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
OPENEYE Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
IUPAC Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
SYSTEMATIC NAME: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
MOLECULAR FORMULA: C27H36N2O5
MOLECULAR WEIGHT: 468.58514
SMILES: CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC
Structure:
CAS RN: 149470-58-6
CAS Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
OPENEYE Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
IUPAC Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
SYSTEMATIC NAME: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
MOLECULAR FORMULA: C27H36N2O5
MOLECULAR WEIGHT: 468.58514
SMILES: CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC
Structure:
CAS RN: 167072-91-5
CAS Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
OPENEYE Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
IUPAC Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
SYSTEMATIC NAME: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
MOLECULAR FORMULA: C27H36N2O5
MOLECULAR WEIGHT: 468.58514
SMILES: CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC
Structure:
CAS RN: 155944-23-3
CAS Name: 1-ethyl-6-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenoxy]methyl]-2-quinolinone
OPENEYE Name: 1-ethyl-6-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]quinolin-2-one
IUPAC Name: 1-ethyl-6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-one
SYSTEMATIC NAME: 1-ethyl-6-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-one
MOLECULAR FORMULA: C24H26FNO4
MOLECULAR WEIGHT: 411.465943
SMILES: CCN1C2=C(C=CC1=O)C=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F
Structure:
CAS RN: 155928-24-8
CAS Name: 4-amino-N-[1-[3-(4-fluorophenyl)propyl]-4-methyl-4-piperidinyl]-5-iodo-2-methoxybenzamide
OPENEYE Name: 4-amino-N-[1-[3-(4-fluorophenyl)propyl]-4-methyl-4-piperidyl]-5-iodo-2-methoxy-benzamide
IUPAC Name: 4-amino-N-[1-[3-(4-fluorophenyl)propyl]-4-methylpiperidin-4-yl]-5-iodo-2-methoxybenzamide
SYSTEMATIC NAME: 4-azanyl-N-[1-[3-(4-fluorophenyl)propyl]-4-methyl-piperidin-4-yl]-5-iodanyl-2-methoxy-benzamide
MOLECULAR FORMULA: C23H29FIN3O2
MOLECULAR WEIGHT: 525.398133
SMILES: CC1(CCN(CC1)CCCC2=CC=C(C=C2)F)NC(=O)C3=CC(=C(C=C3OC)N)I
Structure:
CAS RN: 155798-12-2
CAS Name: 4-iodo-N-[1-(phenylmethyl)-4-piperidinyl]benzamide
OPENEYE Name: N-(1-benzyl-4-piperidyl)-4-iodo-benzamide
IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-iodobenzamide
SYSTEMATIC NAME: 4-iodanyl-N-[1-(phenylmethyl)piperidin-4-yl]benzamide
MOLECULAR FORMULA: C19H21IN2O
MOLECULAR WEIGHT: 420.28731
SMILES: C1CN(CCC1NC(=O)C2=CC=C(C=C2)I)CC3=CC=CC=C3
Structure:
CAS RN: 155651-56-2
CAS Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
OPENEYE Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N-(2,2,2-trifluoro-1-methyl-1-phenyl-ethyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
SYSTEMATIC NAME: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-N-[1,1,1-tris(fluoranyl)-2-phenyl-propan-2-yl]-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
MOLECULAR FORMULA: C28H35F3N2O2
MOLECULAR WEIGHT: 488.58491
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C4=CC=CC=C4)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
Structure:
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