Product OPENEYE NAME: 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-methoxy-cyclohexyl]benzonitrile
CAS Name: 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-methoxycyclohexyl]benzonitrile
IUPAC NAME: 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-methoxycyclohexyl]benzonitrile
SYSTEMATIC NAME: 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-methoxy-cyclohexyl]benzenecarbonitrile
MOLECULAR FORMULA: C17H24N2O
MOLECULAR WEIGHT: 272.38526
SMILES: CN(C)C[C@H]1CCCC[C@@]1(C2=CC=CC(=C2)C#N)OC
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MOLECULAR FORMULA: C28H42O6
MOLECULAR WEIGHT: 474.62948
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC(=O)CCC56CC7CC(C5)CC(C7)C6)C
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MOLECULAR FORMULA: C27H40O6
MOLECULAR WEIGHT: 460.6029
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC(=O)CC5C6CC7CC(C6)CC5C7)C
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Product OPENEYE NAME: 4-(4-decylphenyl)-3,5-dimethyl-1H-imidazol-2-one
CAS Name: 4-(4-decylphenyl)-3,5-dimethyl-1H-imidazol-2-one
IUPAC NAME: 4-(4-decylphenyl)-3,5-dimethyl-1H-imidazol-2-one
SYSTEMATIC NAME: 4-(4-decylphenyl)-3,5-dimethyl-1H-imidazol-2-one
MOLECULAR FORMULA: C21H32N2O
MOLECULAR WEIGHT: 328.49158
SMILES: CCCCCCCCCCC1=CC=C(C=C1)C2=C(NC(=O)N2C)C
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Product OPENEYE NAME: 4-(4-decoxyphenyl)-3,5-dimethyl-1H-imidazol-2-one
CAS Name: 4-(4-decoxyphenyl)-3,5-dimethyl-1H-imidazol-2-one
IUPAC NAME: 4-(4-decoxyphenyl)-3,5-dimethyl-1H-imidazol-2-one
SYSTEMATIC NAME: 4-(4-decoxyphenyl)-3,5-dimethyl-1H-imidazol-2-one
MOLECULAR FORMULA: C21H32N2O2
MOLECULAR WEIGHT: 344.49098
SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C2=C(NC(=O)N2C)C
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Product OPENEYE NAME: 1-[3-[(1R,5S)-3-(5-benzoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-(p-tolyl)urea
CAS Name: 1-[3-[(1R,5S)-3-(5-benzoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
IUPAC NAME: 1-[3-[(1R,5S)-3-(5-benzoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
SYSTEMATIC NAME: 3-(4-methylphenyl)-1-[3-[(1R,5S)-3-[2-methyl-5-(phenylcarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
MOLECULAR FORMULA: C38H44N6O2
MOLECULAR WEIGHT: 616.79496
SMILES: CC1=CC=C(C=C1)NC(=O)N(CCCN2[C@@H]3CC[C@H]2CC(C3)N4C(=NC5=C4CCN(C5)C(=O)C6=CC=CC=C6)C)C7=CC=CC=C7
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Product OPENEYE NAME: N-cyano-4-[2-(2-furyl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine
CAS Name: N-cyano-4-[2-(2-furanyl)-1-oxoethyl]-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-4-[2-(furan-2-yl)acetyl]-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-4-[2-(furan-2-yl)ethanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide
MOLECULAR FORMULA: C25H25N5O2
MOLECULAR WEIGHT: 427.4983
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC=CO4
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Product OPENEYE NAME: N-cyano-N'-(o-tolyl)-3-phenyl-4-[2-(3-thienyl)acetyl]piperazine-1-carboxamidine
CAS Name: N-cyano-N'-(2-methylphenyl)-4-[1-oxo-2-(3-thiophenyl)ethyl]-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-thiophen-3-ylacetyl)piperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-thiophen-3-ylethanoyl)piperazine-1-carboximidamide
MOLECULAR FORMULA: C25H25N5OS
MOLECULAR WEIGHT: 443.5639
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CSC=C4
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Product OPENEYE NAME: dimethyl 1-[3-[[(6aS)-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)-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)-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)-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: C22H25N5O7
MOLECULAR WEIGHT: 471.4632
SMILES: COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCN4C(=C(N=N4)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: dimethyl 1-[4-[[(6aS)-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)-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)-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)-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: C23H27N5O7
MOLECULAR WEIGHT: 485.48978
SMILES: COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCN4C(=C(N=N4)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: 2-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-piperidyl]acetic acid
CAS Name: 2-[(3R,4S)-4-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-3-[[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-oxomethyl]amino]-1-piperidinyl]acetic acid
IUPAC NAME: 2-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]piperidin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(3R,4S)-4-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonylamino]piperidin-1-yl]ethanoic acid
MOLECULAR FORMULA: C24H27ClN6O4S
MOLECULAR WEIGHT: 531.02698
SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3CN(CC[C@@H]3NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl)CC(=O)O
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Product OPENEYE NAME: methyl 2-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-piperidyl]acetate
CAS Name: 2-[(3R,4S)-4-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-3-[[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-oxomethyl]amino]-1-piperidinyl]acetic acid methyl ester
IUPAC NAME: methyl 2-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]piperidin-1-yl]acetate
SYSTEMATIC NAME: methyl 2-[(3R,4S)-4-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonylamino]piperidin-1-yl]ethanoate
MOLECULAR FORMULA: C25H29ClN6O4S
MOLECULAR WEIGHT: 545.05356
SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3CN(CC[C@@H]3NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl)CC(=O)OC
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Product OPENEYE NAME: 2-[4-[(4-aminopyrimidin-5-yl)methyl]-3-methyl-2-thienyl]ethanol
CAS Name: 2-[4-[(4-amino-5-pyrimidinyl)methyl]-3-methyl-2-thiophenyl]ethanol
IUPAC NAME: 2-[4-[(4-aminopyrimidin-5-yl)methyl]-3-methylthiophen-2-yl]ethanol
SYSTEMATIC NAME: 2-[4-[(4-azanylpyrimidin-5-yl)methyl]-3-methyl-thiophen-2-yl]ethanol
MOLECULAR FORMULA: C12H15N3OS
MOLECULAR WEIGHT: 249.332
SMILES: CC1=C(SC=C1CC2=CN=CN=C2N)CCO
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Product OPENEYE NAME: 5-(2-furylmethylsulfanyl)-7-[[(1R)-2-hydroxy-1-methyl-ethyl]amino]-3H-thiazolo[4,5-d]pyrimidin-2-one
CAS Name: 5-(2-furanylmethylthio)-7-[[(2R)-1-hydroxypropan-2-yl]amino]-3H-thiazolo[4,5-d]pyrimidin-2-one
IUPAC NAME: 5-(furan-2-ylmethylsulfanyl)-7-[[(2R)-1-hydroxypropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SYSTEMATIC NAME: 5-(furan-2-ylmethylsulfanyl)-7-[[(2R)-1-oxidanylpropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
MOLECULAR FORMULA: C13H14N4O3S2
MOLECULAR WEIGHT: 338.40526
SMILES: C[C@H](CO)NC1=NC(=NC2=C1SC(=O)N2)SCC3=CC=CO3
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Product OPENEYE NAME: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CAS Name: (7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC NAME: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H29NO11
MOLECULAR WEIGHT: 545.511802
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O[14CH3])O)(C(=O)CO)O)N)O
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Product OPENEYE NAME: (2S)-3-(4-phenylphenyl)-2-[[(2S)-4-phenyl-2-sulfanyl-butanoyl]amino]propanoic acid
CAS Name: (2S)-2-[[(2S)-2-mercapto-1-oxo-4-phenylbutyl]amino]-3-(4-phenylphenyl)propanoic acid
IUPAC NAME: (2S)-3-(4-phenylphenyl)-2-[[(2S)-4-phenyl-2-sulfanylbutanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-3-(4-phenylphenyl)-2-[[(2S)-4-phenyl-2-sulfanyl-butanoyl]amino]propanoic acid
MOLECULAR FORMULA: C25H25NO3S
MOLECULAR WEIGHT: 419.5359
SMILES: C1=CC=C(C=C1)CC[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)S
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