Product OPENEYE NAME: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C
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Product OPENEYE NAME: 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine bromide
CAS Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide
IUPAC NAME: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide
SYSTEMATIC NAME: 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine bromide
MOLECULAR FORMULA: C21H20BrN3
MOLECULAR WEIGHT: 394.3076
SMILES: CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-]
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Product OPENEYE NAME: 4-[benzyl(methyl)amino]-2-(1-naphthyl)butanenitrile
CAS Name: 4-[methyl-(phenylmethyl)amino]-2-(1-naphthalenyl)butanenitrile
IUPAC NAME: 4-[benzyl(methyl)amino]-2-naphthalen-1-ylbutanenitrile
SYSTEMATIC NAME: 4-[methyl-(phenylmethyl)amino]-2-naphthalen-1-yl-butanenitrile
MOLECULAR FORMULA: C22H22N2
MOLECULAR WEIGHT: 314.42348
SMILES: CN(CCC(C#N)C1=CC=CC2=CC=CC=C21)CC3=CC=CC=C3
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Product OPENEYE NAME: 3-methyl-2-(1-naphthyl)-2-[2-(1-piperidyl)ethyl]pentanenitrile
CAS Name: 3-methyl-2-(1-naphthalenyl)-2-[2-(1-piperidinyl)ethyl]pentanenitrile
IUPAC NAME: 3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentanenitrile
SYSTEMATIC NAME: 3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentanenitrile
MOLECULAR FORMULA: C23H30N2
MOLECULAR WEIGHT: 334.4977
SMILES: CCC(C)C(CCN1CCCCC1)(C#N)C2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: 3-methyl-2-(2-morpholinoethyl)-2-(1-naphthyl)pentanenitrile
CAS Name: 3-methyl-2-[2-(4-morpholinyl)ethyl]-2-(1-naphthalenyl)pentanenitrile
IUPAC NAME: 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile
SYSTEMATIC NAME: 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-yl-pentanenitrile
MOLECULAR FORMULA: C22H28N2O
MOLECULAR WEIGHT: 336.47052
SMILES: CCC(C)C(CCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: 2-phenyl-4-(1-piperidyl)-2-[2-(1-piperidyl)ethyl]butanenitrile
CAS Name: 2-phenyl-4-(1-piperidinyl)-2-[2-(1-piperidinyl)ethyl]butanenitrile
IUPAC NAME: 2-phenyl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butanenitrile
SYSTEMATIC NAME: 2-phenyl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butanenitrile
MOLECULAR FORMULA: C22H33N3
MOLECULAR WEIGHT: 339.51752
SMILES: C1CCN(CC1)CCC(CCN2CCCCC2)(C#N)C3=CC=CC=C3
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Product OPENEYE NAME: 4-morpholino-2-(2-morpholinoethyl)-2-phenyl-butanenitrile
CAS Name: 4-(4-morpholinyl)-2-[2-(4-morpholinyl)ethyl]-2-phenylbutanenitrile
IUPAC NAME: 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile
SYSTEMATIC NAME: 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenyl-butanenitrile
MOLECULAR FORMULA: C20H29N3O2
MOLECULAR WEIGHT: 343.46316
SMILES: C1COCCN1CCC(CCN2CCOCC2)(C#N)C3=CC=CC=C3
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Product OPENEYE NAME: 2-ethylhexyl diphenyl phosphate
CAS Name: phosphoric acid 2-ethylhexyl diphenyl ester
IUPAC NAME: 2-ethylhexyl diphenyl phosphate
SYSTEMATIC NAME: 2-ethylhexyl diphenyl phosphate
MOLECULAR FORMULA: C20H27O4P
MOLECULAR WEIGHT: 362.399741
SMILES: CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
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Product OPENEYE NAME: [(5S,9S,14S,17S)-2,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
CAS Name: acetic acid [(5S,9S,14S,17S)-2,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(5S,9S,14S,17S)-2,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(5S,9S,14S,17S)-2,10,13-trimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C22H32O3
MOLECULAR WEIGHT: 344.48768
SMILES: CC1=CC2([C@@H](CCC3[C@@H]2CCC4([C@H]3CC[C@@H]4OC(=O)C)C)CC1=O)C
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Product OPENEYE NAME: 7-chloro-1-[2-(dimethylamino)-1-methyl-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride
CAS Name: 7-chloro-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride
IUPAC NAME: 7-chloro-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride
SYSTEMATIC NAME: 7-chloranyl-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride
MOLECULAR FORMULA: C20H24Cl3N3O
MOLECULAR WEIGHT: 428.78306
SMILES: CC(CN(C)C)N1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl.Cl
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Product OPENEYE NAME: 7-chloro-1-[2-(dimethylamino)-1-methyl-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C20H22ClN3O
MOLECULAR WEIGHT: 355.86118
SMILES: CC(CN(C)C)N1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: 2,2,9-trimethyl-3,4-dihydro-1H-picene
CAS Name: 2,2,9-trimethyl-3,4-dihydro-1H-picene
IUPAC NAME: 2,2,9-trimethyl-3,4-dihydro-1H-picene
SYSTEMATIC NAME: 2,2,9-trimethyl-3,4-dihydro-1H-picene
MOLECULAR FORMULA: C25H24
MOLECULAR WEIGHT: 324.45806
SMILES: CC1=CC=CC2=C1C=CC3=C2C=CC4=C3C=CC5=C4CC(CC5)(C)C
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Product OPENEYE NAME: 2-[(2-hydroxy-4-oxo-chromene-3-carbonyl)amino]ethyl-diisobutyl-ammonium chloride
CAS Name: 2-[[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-oxomethyl]amino]ethyl-bis(2-methylpropyl)ammonium chloride
IUPAC NAME: 2-[(2-hydroxy-4-oxochromene-3-carbonyl)amino]ethyl-bis(2-methylpropyl)azanium chloride
SYSTEMATIC NAME: bis(2-methylpropyl)-[2-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)carbonylamino]ethyl]azanium chloride
MOLECULAR FORMULA: C20H29ClN2O4
MOLECULAR WEIGHT: 396.90826
SMILES: CC(C)C[NH+](CCNC(=O)C1=C(OC2=CC=CC=C2C1=O)O)CC(C)C.[Cl-]
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Product OPENEYE NAME: N-[2-(diisobutylamino)ethyl]-2-hydroxy-4-oxo-chromene-3-carboxamide
CAS Name: N-[2-[bis(2-methylpropyl)amino]ethyl]-2-hydroxy-4-oxo-1-benzopyran-3-carboxamide
IUPAC NAME: N-[2-[bis(2-methylpropyl)amino]ethyl]-2-hydroxy-4-oxochromene-3-carboxamide
SYSTEMATIC NAME: N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxidanyl-4-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C20H28N2O4
MOLECULAR WEIGHT: 360.44732
SMILES: CC(C)CN(CCNC(=O)C1=C(OC2=CC=CC=C2C1=O)O)CC(C)C
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Product OPENEYE NAME: 3-[(10R,13R,14S)-14-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(10R,13R,14S)-14-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(10R,13R,14S)-14-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(10R,13R,14S)-10,13-dimethyl-14-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H30O4
MOLECULAR WEIGHT: 370.4819
SMILES: C[C@]12CCC(=O)C=C1CCC3C2CC[C@]4([C@@]3(CCC4C5=CC(=O)OC5)O)C
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Product OPENEYE NAME: (17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
CAS Name: (17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
IUPAC NAME: (17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (17R)-10,13,16-trimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
MOLECULAR FORMULA: C22H28O5
MOLECULAR WEIGHT: 372.45472
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2([C@]1(C(=O)CO)O)C)C
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Product OPENEYE NAME: 5-cyclohexyl-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C22H22N2O3
MOLECULAR WEIGHT: 362.42168
SMILES: C1CCC(CC1)C2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
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