Product OPENEYE NAME: 1-benzhydryl-4-methyl-piperazine
CAS Name: 1-(diphenylmethyl)-4-methylpiperazine
IUPAC NAME: 1-benzhydryl-4-methylpiperazine
SYSTEMATIC NAME: 1-(diphenylmethyl)-4-methyl-piperazine
MOLECULAR FORMULA: C18H22N2
MOLECULAR WEIGHT: 266.38068
SMILES: CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [4-[[4-(dimethylamino)phenyl]-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethyl-ammonium dichloride
CAS Name: [4-[[4-(dimethylamino)phenyl]-(4-dimethyliminio-1-cyclohexa-2,5-dienylidene)methyl]phenyl]-trimethylammonium dichloride
IUPAC NAME: [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium dichloride
SYSTEMATIC NAME: [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethyl-azanium dichloride
MOLECULAR FORMULA: C26H33Cl2N3
MOLECULAR WEIGHT: 458.46632
SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)[N+](C)(C)C.[Cl-].[Cl-]
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Product OPENEYE NAME: [4-[[4-(dimethylamino)phenyl]-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethyl-ammonium
CAS Name: [4-[[4-(dimethylamino)phenyl]-(4-dimethyliminio-1-cyclohexa-2,5-dienylidene)methyl]phenyl]-trimethylammonium
IUPAC NAME: [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium
SYSTEMATIC NAME: [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethyl-azanium
MOLECULAR FORMULA: C26H33N3+2
MOLECULAR WEIGHT: 387.56032
SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)[N+](C)(C)C
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Product OPENEYE NAME: 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenyl-methyl]piperazine
CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine
IUPAC NAME: 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine
SYSTEMATIC NAME: 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenyl-methyl]piperazine
MOLECULAR FORMULA: C28H33ClN2
MOLECULAR WEIGHT: 433.02802
SMILES: CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2,2-bis(4-chlorophenyl)acetic acid
CAS Name: 2,2-bis(4-chlorophenyl)acetic acid
IUPAC NAME: 2,2-bis(4-chlorophenyl)acetic acid
SYSTEMATIC NAME: 2,2-bis(4-chlorophenyl)ethanoic acid
MOLECULAR FORMULA: C14H10Cl2O2
MOLECULAR WEIGHT: 281.134
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(=O)O)Cl
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Product OPENEYE NAME: 2-(2-quinolyl)indane-1,3-dione
CAS Name: 2-(2-quinolinyl)indene-1,3-dione
IUPAC NAME: 2-quinolin-2-ylindene-1,3-dione
SYSTEMATIC NAME: 2-quinolin-2-ylindene-1,3-dione
MOLECULAR FORMULA: C18H11NO2
MOLECULAR WEIGHT: 273.28544
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C3C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 2-(2,2-dimethylpropanoyl)indane-1,3-dione
CAS Name: 2-(2,2-dimethyl-1-oxopropyl)indene-1,3-dione
IUPAC NAME: 2-(2,2-dimethylpropanoyl)indene-1,3-dione
SYSTEMATIC NAME: 2-(2,2-dimethylpropanoyl)indene-1,3-dione
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: CC(C)(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O
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Product OPENEYE NAME: 2-(3-methylbutanoyl)indane-1,3-dione
CAS Name: 2-(3-methyl-1-oxobutyl)indene-1,3-dione
IUPAC NAME: 2-(3-methylbutanoyl)indene-1,3-dione
SYSTEMATIC NAME: 2-(3-methylbutanoyl)indene-1,3-dione
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: CC(C)CC(=O)C1C(=O)C2=CC=CC=C2C1=O
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Product OPENEYE NAME: 1,2-dihydroacenaphthylene
CAS Name: 1,2-dihydroacenaphthylene
IUPAC NAME: 1,2-dihydroacenaphthylene
SYSTEMATIC NAME: 1,2-dihydroacenaphthylene
MOLECULAR FORMULA: C12H10
MOLECULAR WEIGHT: 154.2078
SMILES: C1CC2=CC=CC3=C2C1=CC=C3
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Product OPENEYE NAME: indan-1-one
CAS Name: 2,3-dihydroinden-1-one
IUPAC NAME: 2,3-dihydroinden-1-one
SYSTEMATIC NAME: 2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H8O
MOLECULAR WEIGHT: 132.15922
SMILES: C1CC(=O)C2=CC=CC=C21
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Product OPENEYE NAME: 3-methyl-1H-indole
CAS Name: 3-methyl-1H-indole
IUPAC NAME: 3-methyl-1H-indole
SYSTEMATIC NAME: 3-methyl-1H-indole
MOLECULAR FORMULA: C9H9N
MOLECULAR WEIGHT: 131.17446
SMILES: CC1=CNC2=CC=CC=C12
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Product OPENEYE NAME: 2,6-dichlorobenzaldehyde
CAS Name: 2,6-dichlorobenzaldehyde
IUPAC NAME: 2,6-dichlorobenzaldehyde
SYSTEMATIC NAME: 2,6-bis(chloranyl)benzaldehyde
MOLECULAR FORMULA: C7H4Cl2O
MOLECULAR WEIGHT: 175.01206
SMILES: C1=CC(=C(C(=C1)Cl)C=O)Cl
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Product OPENEYE NAME: 2-hydroxy-3-methyl-benzoic acid
CAS Name: 2-hydroxy-3-methylbenzoic acid
IUPAC NAME: 2-hydroxy-3-methylbenzoic acid
SYSTEMATIC NAME: 3-methyl-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: CC1=CC=CC(=C1O)C(=O)O
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Product OPENEYE NAME: 1,2-dimethyl-3-nitro-benzene
CAS Name: 1,2-dimethyl-3-nitrobenzene
IUPAC NAME: 1,2-dimethyl-3-nitrobenzene
SYSTEMATIC NAME: 1,2-dimethyl-3-nitro-benzene
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C
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Product OPENEYE NAME: 1-chloro-2-methyl-3-nitro-benzene
CAS Name: 1-chloro-2-methyl-3-nitrobenzene
IUPAC NAME: 1-chloro-2-methyl-3-nitrobenzene
SYSTEMATIC NAME: 1-chloranyl-2-methyl-3-nitro-benzene
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: CC1=C(C=CC=C1Cl)[N+](=O)[O-]
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Product OPENEYE NAME: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
CAS Name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8S,9S,10R,11S,13S,14S,17R)-6,10,13-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H30O5
MOLECULAR WEIGHT: 374.4706
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O
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Product OPENEYE NAME: 4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Name: 4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC NAME: 4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: 4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H40O4
MOLECULAR WEIGHT: 392.572
SMILES: CC(CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
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Product OPENEYE NAME: 17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: 17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H52O
MOLECULAR WEIGHT: 416.72258
SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C
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Product OPENEYE NAME: (3S,8S,9S,10R,13R,14S,17R)-17-[(1S,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H50O
MOLECULAR WEIGHT: 414.7067
SMILES: CC[C@@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
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Product OPENEYE NAME: (3S)-17-[(4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: (3S)-17-[(5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S)-17-[(5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S)-17-[(5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H50O
MOLECULAR WEIGHT: 414.7067
SMILES: CC[C@@H](CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CC[C@@H](C4)O)C)C)C(C)C
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