Product OPENEYE NAME: 3-ethyl-2,4,5-trimethyl-1H-pyrrole
CAS Name: 3-ethyl-2,4,5-trimethyl-1H-pyrrole
IUPAC NAME: 3-ethyl-2,4,5-trimethyl-1H-pyrrole
SYSTEMATIC NAME: 3-ethyl-2,4,5-trimethyl-1H-pyrrole
MOLECULAR FORMULA: C9H15N
MOLECULAR WEIGHT: 137.2221
SMILES: CCC1=C(NC(=C1C)C)C
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Product OPENEYE NAME: benzothiophen-3-ol
CAS Name: 1-benzothiophen-3-ol
IUPAC NAME: 1-benzothiophen-3-ol
SYSTEMATIC NAME: 1-benzothiophen-3-ol
MOLECULAR FORMULA: C8H6OS
MOLECULAR WEIGHT: 150.19764
SMILES: C1=CC=C2C(=C1)C(=CS2)O
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Product OPENEYE NAME: 3-ethyl-5,5-dimethyl-oxazolidine-2,4-dione
CAS Name: 3-ethyl-5,5-dimethyloxazolidine-2,4-dione
IUPAC NAME: 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SYSTEMATIC NAME: 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
MOLECULAR FORMULA: C7H11NO3
MOLECULAR WEIGHT: 157.16714
SMILES: CCN1C(=O)C(OC1=O)(C)C
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Product OPENEYE NAME: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H32O3
MOLECULAR WEIGHT: 344.48768
SMILES: C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C
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Product OPENEYE NAME: (17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Name: (17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC NAME: (17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: C[C@@]1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O
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Product OPENEYE NAME: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-17-oxidanyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C
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Product OPENEYE NAME: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CAS Name: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
IUPAC NAME: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C
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Product OPENEYE NAME: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
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Product OPENEYE NAME: 3,4-dioxonaphthalene-1-sulfonic acid
CAS Name: 3,4-dioxo-1-naphthalenesulfonic acid
IUPAC NAME: 3,4-dioxonaphthalene-1-sulfonic acid
SYSTEMATIC NAME: 3,4-bis(oxidanylidene)naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C10H6O5S
MOLECULAR WEIGHT: 238.21664
SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=O)S(=O)(=O)O
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Product OPENEYE NAME: 5-amino-2,3-dihydrophthalazine-1,4-dione
CAS Name: 5-amino-2,3-dihydrophthalazine-1,4-dione
IUPAC NAME: 5-amino-2,3-dihydrophthalazine-1,4-dione
SYSTEMATIC NAME: 5-azanyl-2,3-dihydrophthalazine-1,4-dione
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O
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Product OPENEYE NAME: 1,8-dihydroxy-3-methoxy-6-methyl-anthracene-9,10-dione
CAS Name: 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
IUPAC NAME: 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
SYSTEMATIC NAME: 3-methoxy-6-methyl-1,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C16H12O5
MOLECULAR WEIGHT: 284.26348
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O
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Product OPENEYE NAME: isoquinoline-1,3,4-trione
CAS Name: isoquinoline-1,3,4-trione
IUPAC NAME: isoquinoline-1,3,4-trione
SYSTEMATIC NAME: isoquinoline-1,3,4-trione
MOLECULAR FORMULA: C9H5NO3
MOLECULAR WEIGHT: 175.1409
SMILES: C1=CC=C2C(=C1)C(=O)C(=O)NC2=O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23N
MOLECULAR WEIGHT: 277.40332
SMILES: CN(C)CCCC1C2=CC=CC=C2C=CC3=CC=CC=C13
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Product OPENEYE NAME: 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
CAS Name: 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
IUPAC NAME: 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C20H20O7
MOLECULAR WEIGHT: 372.3686
SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC
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Product OPENEYE NAME: 10-(2-pyrrolidin-1-ylethyl)phenothiazine hydrochloride
CAS Name: 10-[2-(1-pyrrolidinyl)ethyl]phenothiazine hydrochloride
IUPAC NAME: 10-(2-pyrrolidin-1-ylethyl)phenothiazine hydrochloride
SYSTEMATIC NAME: 10-(2-pyrrolidin-1-ylethyl)phenothiazine hydrochloride
MOLECULAR FORMULA: C18H21ClN2S
MOLECULAR WEIGHT: 332.89074
SMILES: C1CCN(C1)CCN2C3=CC=CC=C3SC4=CC=CC=C42.Cl
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Product OPENEYE NAME: 10-(2-pyrrolidin-1-ylethyl)phenothiazine
CAS Name: 10-[2-(1-pyrrolidinyl)ethyl]phenothiazine
IUPAC NAME: 10-(2-pyrrolidin-1-ylethyl)phenothiazine
SYSTEMATIC NAME: 10-(2-pyrrolidin-1-ylethyl)phenothiazine
MOLECULAR FORMULA: C18H20N2S
MOLECULAR WEIGHT: 296.4298
SMILES: C1CCN(C1)CCN2C3=CC=CC=C3SC4=CC=CC=C42
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Product OPENEYE NAME: N-[1,2-bis(2-furyl)-2-nitroso-vinyl]hydroxylamine
CAS Name: N-[1,2-bis(2-furanyl)-2-nitrosoethenyl]hydroxylamine
IUPAC NAME: N-[1,2-bis(furan-2-yl)-2-nitrosoethenyl]hydroxylamine
SYSTEMATIC NAME: N-[1,2-bis(furan-2-yl)-2-nitroso-ethenyl]hydroxylamine
MOLECULAR FORMULA: C10H8N2O4
MOLECULAR WEIGHT: 220.18152
SMILES: C1=COC(=C1)C(=C(C2=CC=CO2)N=O)NO
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Product OPENEYE NAME: 2-tetralin-1-yl-4,5-dihydro-1H-imidazole hydrochloride
CAS Name: 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride
IUPAC NAME: 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride
SYSTEMATIC NAME: 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride
MOLECULAR FORMULA: C13H17ClN2
MOLECULAR WEIGHT: 236.74048
SMILES: C1CC(C2=CC=CC=C2C1)C3=NCCN3.Cl
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Product OPENEYE NAME: 1-[10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine dichloride
CAS Name: 1-[10-(4-amino-2-methyl-1-quinolin-1-iumyl)decyl]-2-methyl-4-quinolin-1-iumamine dichloride
IUPAC NAME: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine dichloride
SYSTEMATIC NAME: 1-[10-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine dichloride
MOLECULAR FORMULA: C30H40Cl2N4
MOLECULAR WEIGHT: 527.5714
SMILES: CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-].[Cl-]
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Product OPENEYE NAME: 3-hydroxy-9-methoxy-6-oxo-1,7-bis(2-oxoheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid
CAS Name: 3-hydroxy-9-methoxy-6-oxo-1,7-bis(2-oxoheptyl)-2-benzo[b][1,4]benzodioxepincarboxylic acid
IUPAC NAME: 3-hydroxy-9-methoxy-6-oxo-1,7-bis(2-oxoheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid
SYSTEMATIC NAME: 9-methoxy-3-oxidanyl-6-oxidanylidene-1,7-bis(2-oxidanylideneheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid
MOLECULAR FORMULA: C29H34O9
MOLECULAR WEIGHT: 526.57486
SMILES: CCCCCC(=O)CC1=CC(=CC2=C1C(=O)OC3=CC(=C(C(=C3O2)CC(=O)CCCCC)C(=O)O)O)OC
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Product OPENEYE NAME: (R)-(5-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)methanol
CAS Name: (R)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol
IUPAC NAME: (R)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
SYSTEMATIC NAME: (R)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CCC1CN2CCC1CC2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)O
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Product OPENEYE NAME: [(6S,7S,8R)-8-butyl-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
CAS Name: 3-methylbutanoic acid [(6S,7S,8R)-8-butyl-3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] ester
IUPAC NAME: [(6S,7S,8R)-8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
SYSTEMATIC NAME: [(6S,7S,8R)-8-butyl-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate
MOLECULAR FORMULA: C26H36N2O9
MOLECULAR WEIGHT: 520.57204
SMILES: CCCC[C@@H]1[C@@H]([C@@H](OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
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