CAS RN: 20984-67-2
CAS Name: 1,8-dichloro-10-ethyl-10-methyl-9-methyleneanthracene
OPENEYE Name: 1,8-dichloro-10-ethyl-10-methyl-9-methylene-anthracene
IUPAC Name: 1,8-dichloro-10-ethyl-10-methyl-9-methylideneanthracene
SYSTEMATIC NAME: 1,8-bis(chloranyl)-10-ethyl-10-methyl-9-methylidene-anthracene
MOLECULAR FORMULA: C18H16Cl2
MOLECULAR WEIGHT: 303.22564
SMILES: CCC1(C2=C(C(=C)C3=C1C=CC=C3Cl)C(=CC=C2)Cl)C
Structure:
CAS RN: 17424-69-0
CAS Name: (2,2-dibromo-1-phenylcyclopropyl)benzene
OPENEYE Name: (2,2-dibromo-1-phenyl-cyclopropyl)benzene
IUPAC Name: (2,2-dibromo-1-phenylcyclopropyl)benzene
SYSTEMATIC NAME: [2,2-bis(bromanyl)-1-phenyl-cyclopropyl]benzene
MOLECULAR FORMULA: C15H12Br2
MOLECULAR WEIGHT: 352.06378
SMILES: C1C(C1(Br)Br)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 35053-71-5
CAS Name: N-methyl-5-(methylcarbamoylamino)-3-phenyl-4,5-dihydroisoxazole-4-carboxamide
OPENEYE Name: N-methyl-5-(methylcarbamoylamino)-3-phenyl-4,5-dihydroisoxazole-4-carboxamide
IUPAC Name: N-methyl-5-(methylcarbamoylamino)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: N-methyl-5-(methylcarbamoylamino)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C13H16N4O3
MOLECULAR WEIGHT: 276.29114
SMILES: CNC(=O)C1C(ON=C1C2=CC=CC=C2)NC(=O)NC
Structure:
CAS RN: 35053-73-7
CAS Name: 5-methyl-3-phenyl-7,7a-dihydro-3aH-isoxazolo[5,4-d]pyrimidine-4,6-dione
OPENEYE Name: 5-methyl-3-phenyl-7,7a-dihydro-3aH-isoxazolo[5,4-d]pyrimidine-4,6-dione
IUPAC Name: 5-methyl-3-phenyl-7,7a-dihydro-3aH-[1,2]oxazolo[5,4-d]pyrimidine-4,6-dione
SYSTEMATIC NAME: 5-methyl-3-phenyl-7,7a-dihydro-3aH-[1,2]oxazolo[5,4-d]pyrimidine-4,6-dione
MOLECULAR FORMULA: C12H11N3O3
MOLECULAR WEIGHT: 245.23404
SMILES: CN1C(=O)C2C(NC1=O)ON=C2C3=CC=CC=C3
Structure:
CAS RN: 1646-27-1
CAS Name: 2-benzofurancarboxylic acid methyl ester
OPENEYE Name: methyl benzofuran-2-carboxylate
IUPAC Name: methyl 1-benzofuran-2-carboxylate
SYSTEMATIC NAME: methyl 1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C10H8O3
MOLECULAR WEIGHT: 176.16872
SMILES: COC(=O)C1=CC2=CC=CC=C2O1
Structure:
CAS RN: 6947-35-9
CAS Name: 4-methylbenzoic acid [5-(4-methoxy-2-oxo-1,3,5-triazin-1-yl)-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester
OPENEYE Name: [5-(4-methoxy-2-oxo-1,3,5-triazin-1-yl)-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate
IUPAC Name: [5-(4-methoxy-2-oxo-1,3,5-triazin-1-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
SYSTEMATIC NAME: [5-(4-methoxy-2-oxidanylidene-1,3,5-triazin-1-yl)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate
MOLECULAR FORMULA: C25H25N3O7
MOLECULAR WEIGHT: 479.4819
SMILES: CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=NC(=NC3=O)OC)OC(=O)C4=CC=C(C=C4)C
Structure:
CAS RN: 52703-94-3
CAS Name: N-(2-chloro-4-nitrophenyl)azo-N-methylmethanamine
OPENEYE Name: N-(2-chloro-4-nitro-phenyl)azo-N-methyl-methanamine
IUPAC Name: N-[(2-chloro-4-nitrophenyl)diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[(2-chloranyl-4-nitro-phenyl)diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C8H9ClN4O2
MOLECULAR WEIGHT: 228.63566
SMILES: CN(C)N=NC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Structure:
CAS RN: 53458-19-8
CAS Name: 2-(6-amino-2-chloro-9-purinyl)-5-[(methylthio)methyl]oxolane-3,4-diol
OPENEYE Name: 2-(6-amino-2-chloro-purin-9-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-amino-2-chloropurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14ClN5O3S
MOLECULAR WEIGHT: 331.77856
SMILES: CSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)Cl)O)O
Structure:
CAS RN: 53458-30-3
CAS Name: 2-(6-amino-2-chloro-9-purinyl)-5-[(methylthio)methyl]oxolane-3,4-diol
OPENEYE Name: 2-(6-amino-2-chloro-purin-9-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-amino-2-chloropurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14ClN5O3S
MOLECULAR WEIGHT: 331.77856
SMILES: CSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)Cl)O)O
Structure:
CAS RN: 22019-14-3
CAS Name: 1,5-bis(bromomethyl)-2,4-dichlorobenzene
OPENEYE Name: 1,5-bis(bromomethyl)-2,4-dichloro-benzene
IUPAC Name: 1,5-bis(bromomethyl)-2,4-dichlorobenzene
SYSTEMATIC NAME: 1,5-bis(bromomethyl)-2,4-bis(chloranyl)benzene
MOLECULAR FORMULA: C8H6Br2Cl2
MOLECULAR WEIGHT: 332.84724
SMILES: C1=C(C(=CC(=C1CBr)Cl)Cl)CBr
Structure:
CAS RN: 67338-68-5
CAS Name: 1-pyridin-4-ylbenzotriazole
OPENEYE Name: 1-(4-pyridyl)benzotriazole
IUPAC Name: 1-pyridin-4-ylbenzotriazole
SYSTEMATIC NAME: 1-pyridin-4-ylbenzotriazole
MOLECULAR FORMULA: C11H8N4
MOLECULAR WEIGHT: 196.20802
SMILES: C1=CC=C2C(=C1)N=NN2C3=CC=NC=C3
Structure:
CAS RN: 31255-22-8
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5,6-dihydro-2H-pyrazolo[3,4-d]pyridazine-4,7-dione
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5,6-dihydro-2H-pyrazolo[3,4-d]pyridazine-4,7-dione
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydro-2H-pyrazolo[3,4-d]pyridazine-4,7-dione
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5,6-dihydro-2H-pyrazolo[3,4-d]pyridazine-4,7-dione
MOLECULAR FORMULA: C10H12N4O6
MOLECULAR WEIGHT: 284.22548
SMILES: C(C1C(C(C(O1)C2=C3C(=NN2)C(=O)NNC3=O)O)O)O
Structure:
CAS RN: 21448-77-1
CAS Name: 7-bicyclo[4.1.0]heptanecarboxylic acid
OPENEYE Name: norcarane-7-carboxylic acid
IUPAC Name: bicyclo[4.1.0]heptane-7-carboxylic acid
SYSTEMATIC NAME: bicyclo[4.1.0]heptane-7-carboxylic acid
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: C1CCC2C(C1)C2C(=O)O
Structure:
CAS RN: 2465-94-3
CAS Name: (4-tert-butylcyclohexyl)sulfinylbenzene
OPENEYE Name: (4-tert-butylcyclohexyl)sulfinylbenzene
IUPAC Name: (4-tert-butylcyclohexyl)sulfinylbenzene
SYSTEMATIC NAME: (4-tert-butylcyclohexyl)sulfinylbenzene
MOLECULAR FORMULA: C16H24OS
MOLECULAR WEIGHT: 264.42616
SMILES: CC(C)(C)C1CCC(CC1)S(=O)C2=CC=CC=C2
Structure:
CAS RN: 14948-68-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H9IO2
MOLECULAR WEIGHT: 264.06033
SMILES: C1C2CC3C1C(C2I)OC3=O
Structure:
CAS RN: 17139-83-2
CAS Name: acetic acid [(3aR,4S,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylene-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [(3aR,4S,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylene-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate
IUPAC Name: [(3aR,4S,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate
SYSTEMATIC NAME: [(3aR,4S,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylidene-2,9-bis(oxidanylidene)-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-4-yl] ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: C[C@H]1C[C@@H]([C@@H]2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C)OC(=O)C
Structure:
CAS RN: 17066-70-5
CAS Name: acetic acid [(3aR,4S,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylene-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [(3aR,4S,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylene-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate
IUPAC Name: [(3aR,4S,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate
SYSTEMATIC NAME: [(3aR,4S,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylidene-2,9-bis(oxidanylidene)-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-4-yl] ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: C[C@H]1C[C@@H]([C@@H]2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C)OC(=O)C
Structure:
CAS RN: 38291-72-4
CAS Name: 4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
OPENEYE Name: 4-(2-thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
IUPAC Name: 4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
SYSTEMATIC NAME: 4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
MOLECULAR FORMULA: C14H13N3S
MOLECULAR WEIGHT: 255.33812
SMILES: C1C(NC2=CC=CC=C2NC1C3=CC=CS3)C#N
Structure:
CAS RN: 35493-00-6
CAS Name: 2-(2-thiophen-2-ylethyl)-1,3-benzoxazole
OPENEYE Name: 2-[2-(2-thienyl)ethyl]-1,3-benzoxazole
IUPAC Name: 2-(2-thiophen-2-ylethyl)-1,3-benzoxazole
SYSTEMATIC NAME: 2-(2-thiophen-2-ylethyl)-1,3-benzoxazole
MOLECULAR FORMULA: C13H11NOS
MOLECULAR WEIGHT: 229.29754
SMILES: C1=CC=C2C(=C1)N=C(O2)CCC3=CC=CS3
Structure:
CAS RN: 10264-23-0
CAS Name: N-cyclohexyl-3-phenylpropanamide
OPENEYE Name: N-cyclohexyl-3-phenyl-propanamide
IUPAC Name: N-cyclohexyl-3-phenylpropanamide
SYSTEMATIC NAME: N-cyclohexyl-3-phenyl-propanamide
MOLECULAR FORMULA: C15H21NO
MOLECULAR WEIGHT: 231.33334
SMILES: C1CCC(CC1)NC(=O)CCC2=CC=CC=C2
Structure:
CAS RN: 4765-57-5
CAS Name: 2-(2-phenylethyl)-1H-quinazolin-4-one
OPENEYE Name: 2-(2-phenylethyl)-1H-quinazolin-4-one
IUPAC Name: 2-(2-phenylethyl)-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-(2-phenylethyl)-1H-quinazolin-4-one
MOLECULAR FORMULA: C16H14N2O
MOLECULAR WEIGHT: 250.29516
SMILES: C1=CC=C(C=C1)CCC2=NC(=O)C3=CC=CC=C3N2
Structure:
CAS RN: 5805-30-1
CAS Name: 2-(2-phenylethyl)-1H-benzimidazole
OPENEYE Name: 2-(2-phenylethyl)-1H-benzimidazole
IUPAC Name: 2-(2-phenylethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-(2-phenylethyl)-1H-benzimidazole
MOLECULAR FORMULA: C15H14N2
MOLECULAR WEIGHT: 222.28506
SMILES: C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3N2
Structure:
CAS RN: 953-21-9
CAS Name: N,3-diphenyl-2-propen-1-imine
OPENEYE Name: N,3-diphenylprop-2-en-1-imine
IUPAC Name: N,3-diphenylprop-2-en-1-imine
SYSTEMATIC NAME: N,3-diphenylprop-2-en-1-imine
MOLECULAR FORMULA: C15H13N
MOLECULAR WEIGHT: 207.27042
SMILES: C1=CC=C(C=C1)C=CC=NC2=CC=CC=C2
Structure:
CAS RN: 15231-34-2
CAS Name: 2-anilino-2-(4-methoxyphenyl)acetonitrile
OPENEYE Name: 2-anilino-2-(4-methoxyphenyl)acetonitrile
IUPAC Name: 2-anilino-2-(4-methoxyphenyl)acetonitrile
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-2-phenylazanyl-ethanenitrile
MOLECULAR FORMULA: C15H14N2O
MOLECULAR WEIGHT: 238.28446
SMILES: COC1=CC=C(C=C1)C(C#N)NC2=CC=CC=C2
Structure:
CAS RN: 32550-64-4
CAS Name: 2-anilino-2-(4-methylphenyl)acetonitrile
OPENEYE Name: 2-anilino-2-(p-tolyl)acetonitrile
IUPAC Name: 2-anilino-2-(4-methylphenyl)acetonitrile
SYSTEMATIC NAME: 2-(4-methylphenyl)-2-phenylazanyl-ethanenitrile
MOLECULAR FORMULA: C15H14N2
MOLECULAR WEIGHT: 222.28506
SMILES: CC1=CC=C(C=C1)C(C#N)NC2=CC=CC=C2
Structure:
CAS RN: 35321-15-4
CAS Name: 2-(2-aminoanilino)-4-phenyl-3-butenenitrile
OPENEYE Name: 2-(2-aminoanilino)-4-phenyl-but-3-enenitrile
IUPAC Name: 2-(2-aminoanilino)-4-phenylbut-3-enenitrile
SYSTEMATIC NAME: 2-[(2-aminophenyl)amino]-4-phenyl-but-3-enenitrile
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: C1=CC=C(C=C1)C=CC(C#N)NC2=CC=CC=C2N
Structure:
CAS RN: 14568-89-9
CAS Name: 2-anilino-4-phenyl-3-butenenitrile
OPENEYE Name: 2-anilino-4-phenyl-but-3-enenitrile
IUPAC Name: 2-anilino-4-phenylbut-3-enenitrile
SYSTEMATIC NAME: 4-phenyl-2-phenylazanyl-but-3-enenitrile
MOLECULAR FORMULA: C16H14N2
MOLECULAR WEIGHT: 234.29576
SMILES: C1=CC=C(C=C1)C=CC(C#N)NC2=CC=CC=C2
Structure:
CAS RN: 14326-69-3
CAS Name: N-phenyl-1-[4-(phenyliminomethyl)phenyl]methanimine
OPENEYE Name: N-phenyl-1-[4-(phenyliminomethyl)phenyl]methanimine
IUPAC Name: N-phenyl-1-[4-(phenyliminomethyl)phenyl]methanimine
SYSTEMATIC NAME: N-phenyl-1-[4-(phenyliminomethyl)phenyl]methanimine
MOLECULAR FORMULA: C20H16N2
MOLECULAR WEIGHT: 284.35444
SMILES: C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=CC=C3
Structure:
CAS RN: 15286-52-9
CAS Name: N-(4-methoxyphenyl)-3-phenyl-2-propen-1-imine
OPENEYE Name: N-(4-methoxyphenyl)-3-phenyl-prop-2-en-1-imine
IUPAC Name: N-(4-methoxyphenyl)-3-phenylprop-2-en-1-imine
SYSTEMATIC NAME: N-(4-methoxyphenyl)-3-phenyl-prop-2-en-1-imine
MOLECULAR FORMULA: C16H15NO
MOLECULAR WEIGHT: 237.2964
SMILES: COC1=CC=C(C=C1)N=CC=CC2=CC=CC=C2
Structure:
CAS RN: 20663-11-0
CAS Name: N-(1-naphthalenyl)-N-phenyldiazenylacetamide
OPENEYE Name: N-(1-naphthyl)-N-phenylazo-acetamide
IUPAC Name: N-naphthalen-1-yl-N-phenyldiazenylacetamide
SYSTEMATIC NAME: N-naphthalen-1-yl-N-phenyldiazenyl-ethanamide
MOLECULAR FORMULA: C18H15N3O
MOLECULAR WEIGHT: 289.3312
SMILES: CC(=O)N(C1=CC=CC2=CC=CC=C21)N=NC3=CC=CC=C3
Structure:
CAS RN: 20662-72-0
CAS Name: N-(4-methoxyphenyl)azo-N-phenylacetamide
OPENEYE Name: N-(4-methoxyphenyl)azo-N-phenyl-acetamide
IUPAC Name: N-[(4-methoxyphenyl)diazenyl]-N-phenylacetamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)diazenyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CC(=O)N(C1=CC=CC=C1)N=NC2=CC=C(C=C2)OC
Structure:
CAS RN: 20662-90-2
CAS Name: N-(4-methoxyphenyl)-N-phenyldiazenylacetamide
OPENEYE Name: N-(4-methoxyphenyl)-N-phenylazo-acetamide
IUPAC Name: N-(4-methoxyphenyl)-N-phenyldiazenylacetamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-N-phenyldiazenyl-ethanamide
MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CC(=O)N(C1=CC=C(C=C1)OC)N=NC2=CC=CC=C2
Structure:
CAS RN: 1899-25-8
CAS Name: 1-(4-methoxyphenyl)-2,2-diphenylethanone
OPENEYE Name: 1-(4-methoxyphenyl)-2,2-diphenyl-ethanone
IUPAC Name: 1-(4-methoxyphenyl)-2,2-diphenylethanone
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2,2-diphenyl-ethanone
MOLECULAR FORMULA: C21H18O2
MOLECULAR WEIGHT: 302.36642
SMILES: COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 51941-08-3
CAS Name: 1-(4-methoxyphenyl)-1,2-diphenylethane-1,2-diol
OPENEYE Name: 1-(4-methoxyphenyl)-1,2-diphenyl-ethane-1,2-diol
IUPAC Name: 1-(4-methoxyphenyl)-1,2-diphenylethane-1,2-diol
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-1,2-diphenyl-ethane-1,2-diol
MOLECULAR FORMULA: C21H20O3
MOLECULAR WEIGHT: 320.3817
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)O)O
Structure:
CAS RN: 52162-76-2
CAS Name: 1,2-dimethyl-1H-isoquinoline
OPENEYE Name: 1,2-dimethyl-1H-isoquinoline
IUPAC Name: 1,2-dimethyl-1H-isoquinoline
SYSTEMATIC NAME: 1,2-dimethyl-1H-isoquinoline
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CC1C2=CC=CC=C2C=CN1C
Structure:
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