Product OPENEYE NAME: 3-cyclohexyl-5-methyl-4-(4-propylphenyl)-1H-imidazol-2-one
CAS Name: 3-cyclohexyl-5-methyl-4-(4-propylphenyl)-1H-imidazol-2-one
IUPAC NAME: 3-cyclohexyl-5-methyl-4-(4-propylphenyl)-1H-imidazol-2-one
SYSTEMATIC NAME: 3-cyclohexyl-5-methyl-4-(4-propylphenyl)-1H-imidazol-2-one
MOLECULAR FORMULA: C19H26N2O
MOLECULAR WEIGHT: 298.42254
SMILES: CCCC1=CC=C(C=C1)C2=C(NC(=O)N2C3CCCCC3)C
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Product OPENEYE NAME: 3,6-bis(4-bromophenyl)-1,2,4,5-tetraoxane
CAS Name: 3,6-bis(4-bromophenyl)-1,2,4,5-tetraoxane
IUPAC NAME: 3,6-bis(4-bromophenyl)-1,2,4,5-tetraoxane
SYSTEMATIC NAME: 3,6-bis(4-bromophenyl)-1,2,4,5-tetraoxane
MOLECULAR FORMULA: C14H10Br2O4
MOLECULAR WEIGHT: 402.0348
SMILES: C1=CC(=CC=C1C2OOC(OO2)C3=CC=C(C=C3)Br)Br
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Product OPENEYE NAME: N-cyano-4-[2-(1H-indol-3-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine
CAS Name: N-cyano-4-[2-(1H-indol-3-yl)-1-oxoethyl]-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-4-[2-(1H-indol-3-yl)acetyl]-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-4-[2-(1H-indol-3-yl)ethanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide
MOLECULAR FORMULA: C29H28N6O
MOLECULAR WEIGHT: 476.57222
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CNC5=CC=CC=C54
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Product OPENEYE NAME: 4-[2-(1-adamantyl)acetyl]-N-cyano-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine
CAS Name: 4-[2-(1-adamantyl)-1-oxoethyl]-N-cyano-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: 4-[2-(1-adamantyl)acetyl]-N-cyano-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide
SYSTEMATIC NAME: 4-[2-(1-adamantyl)ethanoyl]-N-cyano-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide
MOLECULAR FORMULA: C31H37N5O
MOLECULAR WEIGHT: 495.65838
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC45CC6CC(C4)CC(C6)C5
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Product OPENEYE NAME: N-[2-[(1R,5S)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-N-phenyl-cyclohexanecarboxamide
CAS Name: N-[2-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-N-phenylcyclohexanecarboxamide
IUPAC NAME: N-[2-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-N-phenylcyclohexanecarboxamide
SYSTEMATIC NAME: N-[2-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-N-phenyl-cyclohexanecarboxamide
MOLECULAR FORMULA: C28H41N5O
MOLECULAR WEIGHT: 463.65804
SMILES: CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CCN(C4=CC=CC=C4)C(=O)C5CCCCC5)C(C)C
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Product OPENEYE NAME: 1-[3-[(1R,5S)-3-(2-methyl-5-methylsulfonyl-benzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-(p-tolyl)urea
CAS Name: 1-[3-[(1R,5S)-3-(2-methyl-5-methylsulfonyl-1-benzimidazolyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
IUPAC NAME: 1-[3-[(1R,5S)-3-(2-methyl-5-methylsulfonylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
SYSTEMATIC NAME: 1-[3-[(1R,5S)-3-(2-methyl-5-methylsulfonyl-benzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenyl-urea
MOLECULAR FORMULA: C33H39N5O3S
MOLECULAR WEIGHT: 585.75946
SMILES: CC1=CC=C(C=C1)NC(=O)N(CCCN2[C@@H]3CC[C@H]2CC(C3)N4C(=NC5=C4C=CC(=C5)S(=O)(=O)C)C)C6=CC=CC=C6
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Product OPENEYE NAME: dimethyl 1-[4-[[(6aS,8S)-8-[4,5-bis(methoxycarbonyl)triazol-1-yl]-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butyl]triazole-4,5-dicarboxylate
CAS Name: 1-[4-[[(6aS,8S)-8-[4,5-bis(methoxycarbonyl)-1-triazolyl]-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butyl]triazole-4,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 1-[4-[[(6aS,8S)-8-[4,5-bis(methoxycarbonyl)triazol-1-yl]-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butyl]triazole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 1-[4-[[(6aS,8S)-8-[4,5-bis(methoxycarbonyl)-1,2,3-triazol-1-yl]-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butyl]-1,2,3-triazole-4,5-dicarboxylate
MOLECULAR FORMULA: C29H32N8O11
MOLECULAR WEIGHT: 668.61138
SMILES: COC1=C(C=C2C(=C1)C(=O)N3C[C@H](C[C@H]3C=N2)N4C(=C(N=N4)C(=O)OC)C(=O)OC)OCCCCN5C(=C(N=N5)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: (1R,3R)-5-[(2E)-2-[(7aS)-1-[(1S)-1-(2-ethyl-2-hydroxy-butyl)sulfanylethyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
CAS Name: (1R,3R)-5-[(2E)-2-[(7aS)-1-[(1S)-1-[(2-ethyl-2-hydroxybutyl)thio]ethyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
IUPAC NAME: (1R,3R)-5-[(2E)-2-[(7aS)-1-[(1S)-1-(2-ethyl-2-hydroxybutyl)sulfanylethyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3R)-5-[(2E)-2-[(7aS)-1-[(1S)-1-(2-ethyl-2-oxidanyl-butyl)sulfanylethyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
MOLECULAR FORMULA: C26H42O3S
MOLECULAR WEIGHT: 434.67488
SMILES: CCC(CC)(CS[C@@H](C)C1=CCC\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C)O
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Product OPENEYE NAME: dimethyl 1-[3-[[(6aS,8S)-8-[4,5-bis(methoxycarbonyl)triazol-1-yl]-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propyl]triazole-4,5-dicarboxylate
CAS Name: 1-[3-[[(6aS,8S)-8-[4,5-bis(methoxycarbonyl)-1-triazolyl]-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propyl]triazole-4,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 1-[3-[[(6aS,8S)-8-[4,5-bis(methoxycarbonyl)triazol-1-yl]-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propyl]triazole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 1-[3-[[(6aS,8S)-8-[4,5-bis(methoxycarbonyl)-1,2,3-triazol-1-yl]-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propyl]-1,2,3-triazole-4,5-dicarboxylate
MOLECULAR FORMULA: C28H30N8O11
MOLECULAR WEIGHT: 654.5848
SMILES: COC1=C(C=C2C(=C1)C(=O)N3C[C@H](C[C@H]3C=N2)N4C(=C(N=N4)C(=O)OC)C(=O)OC)OCCCN5C(=C(N=N5)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: N-[4-amino-5-[[5-(2-hydroxyethyl)-4-methyl-3-thienyl]methyl]pyrimidin-2-yl]acetamide
CAS Name: N-[4-amino-5-[[5-(2-hydroxyethyl)-4-methyl-3-thiophenyl]methyl]-2-pyrimidinyl]acetamide
IUPAC NAME: N-[4-amino-5-[[5-(2-hydroxyethyl)-4-methylthiophen-3-yl]methyl]pyrimidin-2-yl]acetamide
SYSTEMATIC NAME: N-[4-azanyl-5-[[5-(2-hydroxyethyl)-4-methyl-thiophen-3-yl]methyl]pyrimidin-2-yl]ethanamide
MOLECULAR FORMULA: C14H18N4O2S
MOLECULAR WEIGHT: 306.38332
SMILES: CC1=C(SC=C1CC2=CN=C(N=C2N)NC(=O)C)CCO
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Product OPENEYE NAME: 2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methyl-2-thienyl]ethanol
CAS Name: 2-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-3-methyl-2-thiophenyl]ethanol
IUPAC NAME: 2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methylthiophen-2-yl]ethanol
SYSTEMATIC NAME: 2-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-methyl-thiophen-2-yl]ethanol
MOLECULAR FORMULA: C12H16N4OS
MOLECULAR WEIGHT: 264.34664
SMILES: CC1=C(SC=C1CC2=CN=C(N=C2N)N)CCO
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Product OPENEYE NAME: 5-(3,4-dimethoxyphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
CAS Name: 5-(3,4-dimethoxyphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
IUPAC NAME: 5-(3,4-dimethoxyphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
SYSTEMATIC NAME: 5-(3,4-dimethoxyphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
MOLECULAR FORMULA: C23H22N2O2
MOLECULAR WEIGHT: 358.43298
SMILES: COC1=C(C=C(C=C1)C2CC(=NN2)C3=CC=C(C=C3)C4=CC=CC=C4)OC
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