Product OPENEYE NAME: 3-benzhydrylidene-1,1-diethyl-2-methyl-pyrrolidin-1-ium bromide
CAS Name: 3-(diphenylmethylene)-1,1-diethyl-2-methylpyrrolidin-1-ium bromide
IUPAC NAME: 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide
SYSTEMATIC NAME: 3-(diphenylmethylidene)-1,1-diethyl-2-methyl-pyrrolidin-1-ium bromide
MOLECULAR FORMULA: C22H28BrN
MOLECULAR WEIGHT: 386.36842
SMILES: CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC.[Br-]
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Product OPENEYE NAME: pent-3-enenitrile
CAS Name: 3-pentenenitrile
IUPAC NAME: pent-3-enenitrile
SYSTEMATIC NAME: pent-3-enenitrile
MOLECULAR FORMULA: C5H7N
MOLECULAR WEIGHT: 81.11578
SMILES: CC=CCC#N
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Product OPENEYE NAME: 4-hydroxycyclohepta-2,4,6-trien-1-one
CAS Name: 4-hydroxy-1-cyclohepta-2,4,6-trienone
IUPAC NAME: 4-hydroxycyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 4-oxidanylcyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C7H6O2
MOLECULAR WEIGHT: 122.12134
SMILES: C1=CC(=O)C=CC(=C1)O
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Product OPENEYE NAME: N,N'-dibenzylformamidine
CAS Name: N,N'-bis(phenylmethyl)methanimidamide
IUPAC NAME: N,N'-dibenzylmethanimidamide
SYSTEMATIC NAME: N,N'-bis(phenylmethyl)methanimidamide
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: C1=CC=C(C=C1)CNC=NCC2=CC=CC=C2
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Product OPENEYE NAME: 1-hydroxyquinolin-4-one oxime
CAS Name: 1-hydroxy-4-quinolinone oxime
IUPAC NAME: N-(1-hydroxyquinolin-4-ylidene)hydroxylamine
SYSTEMATIC NAME: N-(1-oxidanylquinolin-4-ylidene)hydroxylamine
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: C1=CC=C2C(=C1)C(=NO)C=CN2O
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Product OPENEYE NAME: aziridin-1-yl-[3-[bis(2-chloroethyl)amino]phenyl]methanone
CAS Name: 1-aziridinyl-[3-[bis(2-chloroethyl)amino]phenyl]methanone
IUPAC NAME: aziridin-1-yl-[3-[bis(2-chloroethyl)amino]phenyl]methanone
SYSTEMATIC NAME: aziridin-1-yl-[3-[bis(2-chloroethyl)amino]phenyl]methanone
MOLECULAR FORMULA: C13H16Cl2N2O
MOLECULAR WEIGHT: 287.18494
SMILES: C1CN1C(=O)C2=CC(=CC=C2)N(CCCl)CCCl
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Product OPENEYE NAME: (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid
CAS Name: (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid
IUPAC NAME: (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC(=C[C@@H]1[C@@H](C1(C)C)C(=O)O)C
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Product OPENEYE NAME: cyclohexoxycyclohexane
CAS Name: cyclohexyloxycyclohexane
IUPAC NAME: cyclohexyloxycyclohexane
SYSTEMATIC NAME: cyclohexyloxycyclohexane
MOLECULAR FORMULA: C12H22O
MOLECULAR WEIGHT: 182.30248
SMILES: C1CCC(CC1)OC2CCCCC2
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Product OPENEYE NAME: (1R,2S)-indane-1,2-diol
CAS Name: (1R,2S)-2,3-dihydro-1H-indene-1,2-diol
IUPAC NAME: (1R,2S)-2,3-dihydro-1H-indene-1,2-diol
SYSTEMATIC NAME: (1R,2S)-2,3-dihydro-1H-indene-1,2-diol
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: C1[C@@H]([C@@H](C2=CC=CC=C21)O)O
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Product OPENEYE NAME: (1S,2S)-indane-1,2-diol
CAS Name: (1S,2S)-2,3-dihydro-1H-indene-1,2-diol
IUPAC NAME: (1S,2S)-2,3-dihydro-1H-indene-1,2-diol
SYSTEMATIC NAME: (1S,2S)-2,3-dihydro-1H-indene-1,2-diol
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: C1[C@@H]([C@H](C2=CC=CC=C21)O)O
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Product OPENEYE NAME: 1,3-dioxo-2-phenyl-isoindoline-5-carboxylic acid
CAS Name: 1,3-dioxo-2-phenyl-5-isoindolecarboxylic acid
IUPAC NAME: 1,3-dioxo-2-phenylisoindole-5-carboxylic acid
SYSTEMATIC NAME: 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylic acid
MOLECULAR FORMULA: C15H9NO4
MOLECULAR WEIGHT: 267.23626
SMILES: C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
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Product OPENEYE NAME: 6-bromo-1,3,5-triazine-2,4-diamine
CAS Name: 6-bromo-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-bromo-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-bromanyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C3H4BrN5
MOLECULAR WEIGHT: 190.00136
SMILES: C1(=NC(=NC(=N1)Br)N)N
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Product OPENEYE NAME: 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one
CAS Name: 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one
IUPAC NAME: 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one
SYSTEMATIC NAME: 5-(4-aminophenyl)-6-azanyl-1H-pyrimidin-2-one
MOLECULAR FORMULA: C10H10N4O
MOLECULAR WEIGHT: 202.2126
SMILES: C1=CC(=CC=C1C2=C(NC(=O)N=C2)N)N
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Product OPENEYE NAME: 4-[(3R,5S)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Name: 4-[(3R,5S)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC NAME: 4-[(3R,5S)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: 4-[(3R,5S)-10,13-dimethyl-3-oxidanyl-7-oxidanylidene-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H38O4
MOLECULAR WEIGHT: 390.55612
SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)C[C@H]4C3(CC[C@H](C4)O)C)C
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Product OPENEYE NAME: N-benzyl-2-(5-benzyloxy-1H-indol-3-yl)-N-methyl-ethanamine
CAS Name: N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)-N-(phenylmethyl)ethanamine
IUPAC NAME: N-benzyl-N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine
SYSTEMATIC NAME: N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)-N-(phenylmethyl)ethanamine
MOLECULAR FORMULA: C25H26N2O
MOLECULAR WEIGHT: 370.48674
SMILES: CN(CCC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4
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Product OPENEYE NAME: 4-chloro-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CAS Name: 4-chloro-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
IUPAC NAME: 4-chloro-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-chloranyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C6H9ClN4O
MOLECULAR WEIGHT: 188.61486
SMILES: CCNC1=NC(=NC(=N1)Cl)OC
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Product OPENEYE NAME: 2-[(2-chlorophenyl)methyl]-1,1-dimethyl-guanidine
CAS Name: 2-[(2-chlorophenyl)methyl]-1,1-dimethylguanidine
IUPAC NAME: 2-[(2-chlorophenyl)methyl]-1,1-dimethylguanidine
SYSTEMATIC NAME: 2-[(2-chlorophenyl)methyl]-1,1-dimethyl-guanidine
MOLECULAR FORMULA: C10H14ClN3
MOLECULAR WEIGHT: 211.69126
SMILES: CN(C)C(=NCC1=CC=CC=C1Cl)N
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Product OPENEYE NAME: isopropyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-methylprop-2-enoate
SYSTEMATIC NAME: propan-2-yl 2-methylprop-2-enoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CC(C)OC(=O)C(=C)C
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Product OPENEYE NAME: diphenylarsinic acid
CAS Name: diphenylarsinic acid
IUPAC NAME: diphenylarsinic acid
SYSTEMATIC NAME: diphenylarsinic acid
MOLECULAR FORMULA: C12H11AsO2
MOLECULAR WEIGHT: 262.13614
SMILES: C1=CC=C(C=C1)[As](=O)(C2=CC=CC=C2)O
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Product OPENEYE NAME: 1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indoline
CAS Name: 1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-3-indol-1-iumylidene)ethylidene]indole
IUPAC NAME: 1,3,3-trimethyl-2-[2-(1-methyl-2-phenylindol-1-ium-3-ylidene)ethylidene]indole
SYSTEMATIC NAME: 1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indole
MOLECULAR FORMULA: C28H27N2+
MOLECULAR WEIGHT: 391.52738
SMILES: CC1(C2=CC=CC=C2N(C1=CC=C3C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)C)C)C
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Product OPENEYE NAME: 2,2,4,6,6,8-hexamethyl-4,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CAS Name: 2,2,4,6,6,8-hexamethyl-4,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
IUPAC NAME: 2,2,4,6,6,8-hexamethyl-4,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SYSTEMATIC NAME: 2,2,4,6,6,8-hexamethyl-4,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
MOLECULAR FORMULA: C18H28O4Si4
MOLECULAR WEIGHT: 420.75452
SMILES: C[Si]1(O[Si](O[Si](O[Si](O1)(C)C2=CC=CC=C2)(C)C)(C)C3=CC=CC=C3)C
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Product OPENEYE NAME: 4,6-dibromo-N-sec-butyl-1,3,5-triazin-2-amine
CAS Name: 4,6-dibromo-N-butan-2-yl-1,3,5-triazin-2-amine
IUPAC NAME: 4,6-dibromo-N-butan-2-yl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(bromanyl)-N-butan-2-yl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C7H10Br2N4
MOLECULAR WEIGHT: 309.9891
SMILES: CCC(C)NC1=NC(=NC(=N1)Br)Br
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Product OPENEYE NAME: 4-chloro-6-methylsulfanyl-N-sec-butyl-1,3,5-triazin-2-amine
CAS Name: N-butan-2-yl-4-chloro-6-(methylthio)-1,3,5-triazin-2-amine
IUPAC NAME: N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-butan-2-yl-4-chloranyl-6-methylsulfanyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C8H13ClN4S
MOLECULAR WEIGHT: 232.73362
SMILES: CCC(C)NC1=NC(=NC(=N1)Cl)SC
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Product OPENEYE NAME: 2,3,6-trichlorobenzaldehyde
CAS Name: 2,3,6-trichlorobenzaldehyde
IUPAC NAME: 2,3,6-trichlorobenzaldehyde
SYSTEMATIC NAME: 2,3,6-tris(chloranyl)benzaldehyde
MOLECULAR FORMULA: C7H3Cl3O
MOLECULAR WEIGHT: 209.45712
SMILES: C1=CC(=C(C(=C1Cl)C=O)Cl)Cl
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