Product OPENEYE NAME: [(3S,5S,8R,9S,10S,13S,16E,17E)-10,13-dimethyl-16,17-bis(phenylhydrazono)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13S,16E,17E)-10,13-dimethyl-16,17-bis(phenylhydrazinylidene)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5S,8R,9S,10S,13S,16E,17E)-10,13-dimethyl-16,17-bis(phenylhydrazinylidene)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,16E,17E)-10,13-dimethyl-16,17-bis(phenylhydrazinylidene)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C33H42N4O2
MOLECULAR WEIGHT: 526.71218
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]\4(C3C/C(=N\NC5=CC=CC=C5)/C4=N/NC6=CC=CC=C6)C)C
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Product OPENEYE NAME: (3S,5S,8R,9S,10S,13S,16E,17E)-10,13-dimethyl-16,17-bis(phenylhydrazono)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: (3S,5S,8R,9S,10S,13S,16E,17E)-10,13-dimethyl-16,17-bis(phenylhydrazinylidene)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S,5S,8R,9S,10S,13S,16E,17E)-10,13-dimethyl-16,17-bis(phenylhydrazinylidene)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13S,16E,17E)-10,13-dimethyl-16,17-bis(phenylhydrazinylidene)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C31H40N4O
MOLECULAR WEIGHT: 484.6755
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]\4(C3C/C(=N\NC5=CC=CC=C5)/C4=N/NC6=CC=CC=C6)C)O
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Product OPENEYE NAME: (3aS,7aR)-3a-hydroperoxy-7a-hydroxy-1,3,4,5,6,7-hexahydrobenzimidazol-2-one
CAS Name: (3aS,7aR)-3a-hydroperoxy-7a-hydroxy-1,3,4,5,6,7-hexahydrobenzimidazol-2-one
IUPAC NAME: (3aS,7aR)-3a-hydroperoxy-7a-hydroxy-1,3,4,5,6,7-hexahydrobenzimidazol-2-one
SYSTEMATIC NAME: (3aS,7aR)-3a-(dioxidanyl)-7a-oxidanyl-1,3,4,5,6,7-hexahydrobenzimidazol-2-one
MOLECULAR FORMULA: C7H12N2O4
MOLECULAR WEIGHT: 188.18118
SMILES: C1CC[C@@]2([C@](C1)(NC(=O)N2)O)OO
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Product OPENEYE NAME: (3S,8R,9S,10R,13S,16E,17E)-10,13-dimethyl-16-[(4-nitrophenyl)hydrazono]-17-(phenylhydrazono)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: (3S,8R,9S,10R,13S,16E,17E)-10,13-dimethyl-16-[(4-nitrophenyl)hydrazinylidene]-17-(phenylhydrazinylidene)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S,8R,9S,10R,13S,16E,17E)-10,13-dimethyl-16-[(4-nitrophenyl)hydrazinylidene]-17-(phenylhydrazinylidene)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,16E,17E)-10,13-dimethyl-16-[(4-nitrophenyl)hydrazinylidene]-17-(phenylhydrazinylidene)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C31H37N5O3
MOLECULAR WEIGHT: 527.65718
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]\4(C3C/C(=N\NC5=CC=C(C=C5)[N+](=O)[O-])/C4=N/NC6=CC=CC=C6)C)O
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Product OPENEYE NAME: [(3S,5S,8R,9S,10S,13S,16S,17E)-16-(isopropylamino)-10,13-dimethyl-17-(phenylhydrazono)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-17-(phenylhydrazinylidene)-16-(propan-2-ylamino)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-17-(phenylhydrazinylidene)-16-(propan-2-ylamino)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-17-(phenylhydrazinylidene)-16-(propan-2-ylamino)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C30H45N3O2
MOLECULAR WEIGHT: 479.6972
SMILES: CC(C)N[C@H]\1CC2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2(/C1=N\NC5=CC=CC=C5)C)C)OC(=O)C
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Product OPENEYE NAME: (3S,8R,9S,10R,13S,16E)-3-hydroxy-10,13-dimethyl-16-[(4-nitrophenyl)hydrazono]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one
CAS Name: (3S,8R,9S,10R,13S,16E)-3-hydroxy-10,13-dimethyl-16-[(4-nitrophenyl)hydrazinylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one
IUPAC NAME: (3S,8R,9S,10R,13S,16E)-3-hydroxy-10,13-dimethyl-16-[(4-nitrophenyl)hydrazinylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,16E)-10,13-dimethyl-16-[(4-nitrophenyl)hydrazinylidene]-3-oxidanyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C25H31N3O4
MOLECULAR WEIGHT: 437.53134
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3C/C(=N\NC5=CC=C(C=C5)[N+](=O)[O-])/C4=O)C)O
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Product OPENEYE NAME: N-[(E)-[(2E,5S,8R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2-(phenylhydrazono)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]aniline
CAS Name: N-[(E)-[(2E,5S,8R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-(phenylhydrazinylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]aniline
IUPAC NAME: N-[(E)-[(2E,5S,8R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-(phenylhydrazinylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]aniline
SYSTEMATIC NAME: N-[(E)-[(2E,5S,8R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-(phenylhydrazinylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]aniline
MOLECULAR FORMULA: C39H56N4
MOLECULAR WEIGHT: 580.88874
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3[C@H]2CC[C@@H]4[C@@]3(C/C(=N\NC5=CC=CC=C5)/C(=N/NC6=CC=CC=C6)/C4)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H49N3
MOLECULAR WEIGHT: 487.76226
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3[C@H]2CC[C@@H]4[C@@]3(CC5=NN(N=C5C4)C6=CC=CC=C6)C)C
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Product OPENEYE NAME: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]ethylidene]cyclohexanone
CAS Name: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]ethylidene]-1-cyclohexanone
IUPAC NAME: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]ethylidene]cyclohexan-1-one
SYSTEMATIC NAME: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]ethylidene]cyclohexan-1-one
MOLECULAR FORMULA: C18H22N2O
MOLECULAR WEIGHT: 282.38008
SMILES: C/C(=C/1\CCCCC1=O)/NCCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]cyclohexanone
CAS Name: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]-1-cyclohexanone
IUPAC NAME: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]cyclohexan-1-one
SYSTEMATIC NAME: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]cyclohexan-1-one
MOLECULAR FORMULA: C19H24N2O2
MOLECULAR WEIGHT: 312.40606
SMILES: C/C(=C/1\CCCCC1=O)/NCCC2=CNC3=C2C=C(C=C3)OC
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Product OPENEYE NAME: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]cyclohexanone
CAS Name: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]-1-cyclohexanone
IUPAC NAME: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]cyclohexan-1-one
SYSTEMATIC NAME: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]cyclohexan-1-one
MOLECULAR FORMULA: C19H24N2O
MOLECULAR WEIGHT: 296.40666
SMILES: CC/C(=C/1\CCCCC1=O)/NCCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]-2-methoxy-ethylidene]cyclohexanone
CAS Name: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]-2-methoxyethylidene]-1-cyclohexanone
IUPAC NAME: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]-2-methoxyethylidene]cyclohexan-1-one
SYSTEMATIC NAME: (2Z)-2-[1-[2-(1H-indol-3-yl)ethylamino]-2-methoxy-ethylidene]cyclohexan-1-one
MOLECULAR FORMULA: C19H24N2O2
MOLECULAR WEIGHT: 312.40606
SMILES: COC/C(=C/1\CCCCC1=O)/NCCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]cyclopentanone
CAS Name: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]-1-cyclopentanone
IUPAC NAME: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]cyclopentan-1-one
SYSTEMATIC NAME: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]cyclopentan-1-one
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: C/C(=C/1\CCCC1=O)/NCCC2=CNC3=C2C=C(C=C3)OC
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Product OPENEYE NAME: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]cycloheptanone
CAS Name: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]-1-cycloheptanone
IUPAC NAME: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]cycloheptan-1-one
SYSTEMATIC NAME: (2Z)-2-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethylidene]cycloheptan-1-one
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: C/C(=C/1\CCCCCC1=O)/NCCC2=CNC3=C2C=C(C=C3)OC
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Product OPENEYE NAME: ethyl 2-[2-(1H-indol-3-yl)ethylamino]cyclopentene-1-carboxylate
CAS Name: 2-[2-(1H-indol-3-yl)ethylamino]-1-cyclopentenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[2-(1H-indol-3-yl)ethylamino]cyclopentene-1-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-(1H-indol-3-yl)ethylamino]cyclopentene-1-carboxylate
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: CCOC(=O)C1=C(CCC1)NCCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: 2-chloro-3,4,5-tris(trifluoromethylsulfanyl)pyrrol-1-ide
CAS Name: 2-chloro-3,4,5-tris(trifluoromethylthio)pyrrol-1-ide
IUPAC NAME: 2-chloro-3,4,5-tris(trifluoromethylsulfanyl)pyrrol-1-ide
SYSTEMATIC NAME: 2-chloranyl-3,4,5-tris(trifluoromethylsulfanyl)pyrrol-1-ide
MOLECULAR FORMULA: C7ClF9NS3-
MOLECULAR WEIGHT: 400.715229
SMILES: C1(=C([N-]C(=C1SC(F)(F)F)Cl)SC(F)(F)F)SC(F)(F)F
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Product OPENEYE NAME: 3-chloro-2,4,5-tris(trifluoromethylsulfanyl)pyrrol-1-ide
CAS Name: 3-chloro-2,4,5-tris(trifluoromethylthio)pyrrol-1-ide
IUPAC NAME: 3-chloro-2,4,5-tris(trifluoromethylsulfanyl)pyrrol-1-ide
SYSTEMATIC NAME: 3-chloranyl-2,4,5-tris(trifluoromethylsulfanyl)pyrrol-1-ide
MOLECULAR FORMULA: C7ClF9NS3-
MOLECULAR WEIGHT: 400.715229
SMILES: C1(=C([N-]C(=C1Cl)SC(F)(F)F)SC(F)(F)F)SC(F)(F)F
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Product OPENEYE NAME: 3,4-dichloro-2,5-bis(trifluoromethylsulfanyl)pyrrol-1-ide
CAS Name: 3,4-dichloro-2,5-bis(trifluoromethylthio)pyrrol-1-ide
IUPAC NAME: 3,4-dichloro-2,5-bis(trifluoromethylsulfanyl)pyrrol-1-ide
SYSTEMATIC NAME: 3,4-bis(chloranyl)-2,5-bis(trifluoromethylsulfanyl)pyrrol-1-ide
MOLECULAR FORMULA: C6Cl2F6NS2-
MOLECULAR WEIGHT: 335.097319
SMILES: C1(=C([N-]C(=C1Cl)SC(F)(F)F)SC(F)(F)F)Cl
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Product OPENEYE NAME: 5-chloro-2-[5-chloro-2,3,4-tris(trifluoromethylsulfanyl)pyrrol-2-yl]-2,3,4-tris(trifluoromethylsulfanyl)pyrrole
CAS Name: 5-chloro-2-[5-chloro-2,3,4-tris(trifluoromethylthio)-2-pyrrolyl]-2,3,4-tris(trifluoromethylthio)pyrrole
IUPAC NAME: 5-chloro-2-[5-chloro-2,3,4-tris(trifluoromethylsulfanyl)pyrrol-2-yl]-2,3,4-tris(trifluoromethylsulfanyl)pyrrole
SYSTEMATIC NAME: 5-chloranyl-2-[5-chloranyl-2,3,4-tris(trifluoromethylsulfanyl)pyrrol-2-yl]-2,3,4-tris(trifluoromethylsulfanyl)pyrrole
MOLECULAR FORMULA: C14Cl2F18N2S6
MOLECULAR WEIGHT: 801.430458
SMILES: C1(=C(C(N=C1Cl)(C2(C(=C(C(=N2)Cl)SC(F)(F)F)SC(F)(F)F)SC(F)(F)F)SC(F)(F)F)SC(F)(F)F)SC(F)(F)F
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Product OPENEYE NAME: 2-[[(2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-diazonio-acetyl]amino]phenolate
CAS Name: 2-[[(2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-diazonio-1-oxoethyl]amino]phenolate
IUPAC NAME: 2-[[(2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-diazonioacetyl]amino]phenolate
SYSTEMATIC NAME: 2-[[(2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-diazonio-ethanoyl]amino]phenolate
MOLECULAR FORMULA: C15H10N4O3
MOLECULAR WEIGHT: 294.2649
SMILES: C1=CC=C2C(=C1)N/C(=C(/C(=O)NC3=CC=CC=C3[O-])\[N+]#N)/O2
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Product OPENEYE NAME: (1E)-1-(3H-1,3-benzoxazol-2-ylidene)-2-(2-hydroxyanilino)-2-oxo-ethanediazonium
CAS Name: (1E)-1-(3H-1,3-benzoxazol-2-ylidene)-2-(2-hydroxyanilino)-2-oxoethanediazonium
IUPAC NAME: (1E)-1-(3H-1,3-benzoxazol-2-ylidene)-2-(2-hydroxyanilino)-2-oxoethanediazonium
SYSTEMATIC NAME: (1E)-1-(3H-1,3-benzoxazol-2-ylidene)-2-[(2-hydroxyphenyl)amino]-2-oxidanylidene-ethanediazonium
MOLECULAR FORMULA: C15H11N4O3+
MOLECULAR WEIGHT: 295.27284
SMILES: C1=CC=C2C(=C1)N/C(=C(/C(=O)NC3=CC=CC=C3O)\[N+]#N)/O2
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Product OPENEYE NAME: [(6aR,8S,9S,9aR)-8-(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)-2,2,4,4-tetraisopropyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] acetate
CAS Name: acetic acid [(6aR,8S,9S,9aR)-8-(1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ester
IUPAC NAME: [(6aR,8S,9S,9aR)-8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] acetate
SYSTEMATIC NAME: [(6aR,8S,9S,9aR)-8-[1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanoate
MOLECULAR FORMULA: C25H44N2O8Si2
MOLECULAR WEIGHT: 556.79646
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=CN(C(=O)N(C3=O)C)C)OC(=O)C)O[Si](O1)(C(C)C)C(C)C)C(C)C
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Product OPENEYE NAME: 5-[(2S,3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1,3-dimethyl-pyrimidine-2,4-dione
CAS Name: 5-[(2S,3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxy-2-oxolanyl]-1,3-dimethylpyrimidine-2,4-dione
IUPAC NAME: 5-[(2S,3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(2S,3R,4S,5S)-5-(chloromethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H15ClN2O5
MOLECULAR WEIGHT: 290.7002
SMILES: CN1C=C(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@@H]([C@H](O2)CCl)O)O
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