Thursday, August 25, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2,4-dichlorophenyl) 2-hydroxyacetate
CAS Name: 2-hydroxyacetic acid (2,4-dichlorophenyl) ester
IUPAC NAME: (2,4-dichlorophenyl) 2-hydroxyacetate
SYSTEMATIC NAME: (2,4-dichlorophenyl) 2-oxidanylethanoate
MOLECULAR FORMULA: C8H6Cl2O3
MOLECULAR WEIGHT: 221.03744
SMILES: C1=CC(=C(C=C1Cl)Cl)OC(=O)CO
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Product OPENEYE NAME: phenyl(4-pyridyl)diazene
CAS Name: phenyl(pyridin-4-yl)diazene
IUPAC NAME: phenyl(pyridin-4-yl)diazene
SYSTEMATIC NAME: phenyl(pyridin-4-yl)diazene
MOLECULAR FORMULA: C11H9N3
MOLECULAR WEIGHT: 183.20926
SMILES: C1=CC=C(C=C1)N=NC2=CC=NC=C2
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Product OPENEYE NAME: pentadecan-1-amine
CAS Name: 1-pentadecanamine
IUPAC NAME: pentadecan-1-amine
SYSTEMATIC NAME: pentadecan-1-amine
MOLECULAR FORMULA: C15H33N
MOLECULAR WEIGHT: 227.42922
SMILES: CCCCCCCCCCCCCCCN
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Product OPENEYE NAME: (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
CAS Name: (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
IUPAC NAME: (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
SYSTEMATIC NAME: (3aS,6S,6aS,9aS,9bR)-6,9a-dimethyl-3-methylidene-6a-oxidanyl-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@]3([C@@]1(CCC3=O)O)C)OC(=O)C2=C
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Product OPENEYE NAME: N,N-dimethyloctadecan-1-amine oxide
CAS Name: N,N-dimethyl-1-octadecanamine oxide
IUPAC NAME: N,N-dimethyloctadecan-1-amine oxide
SYSTEMATIC NAME: N,N-dimethyloctadecan-1-amine oxide
MOLECULAR FORMULA: C20H43NO
MOLECULAR WEIGHT: 313.56152
SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)[O-]
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Product OPENEYE NAME: 2-(diethylamino)ethyl 2-phenylacetate
CAS Name: 2-phenylacetic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl 2-phenylacetate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-phenylethanoate
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CCN(CC)CCOC(=O)CC1=CC=CC=C1
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Product OPENEYE NAME: 2-(diethylamino)ethyl benzoate
CAS Name: benzoic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl benzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl benzoate
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CCN(CC)CCOC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 6-chloro-N2,N4-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
CAS Name: 6-chloro-N2,N4-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2,N4-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C15H10Cl3N5
MOLECULAR WEIGHT: 366.6324
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=CC=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 2-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-(1-naphthyl)butanenitrile
CAS Name: 3-methyl-2-[2-[methyl-(phenylmethyl)amino]ethyl]-2-(1-naphthalenyl)butanenitrile
IUPAC NAME: 2-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-naphthalen-1-ylbutanenitrile
SYSTEMATIC NAME: 3-methyl-2-[2-[methyl-(phenylmethyl)amino]ethyl]-2-naphthalen-1-yl-butanenitrile
MOLECULAR FORMULA: C25H28N2
MOLECULAR WEIGHT: 356.50322
SMILES: CC(C)C(CCN(C)CC1=CC=CC=C1)(C#N)C2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: 4-[ethyl(methyl)amino]-2-(1-naphthyl)butanenitrile
CAS Name: 4-[ethyl(methyl)amino]-2-(1-naphthalenyl)butanenitrile
IUPAC NAME: 4-[ethyl(methyl)amino]-2-naphthalen-1-ylbutanenitrile
SYSTEMATIC NAME: 4-[ethyl(methyl)amino]-2-naphthalen-1-yl-butanenitrile
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: CCN(C)CCC(C#N)C1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: 2-[2-(diethylamino)ethyl]-3-methyl-2-(1-naphthyl)butanenitrile
CAS Name: 2-[2-(diethylamino)ethyl]-3-methyl-2-(1-naphthalenyl)butanenitrile
IUPAC NAME: 2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutanenitrile
SYSTEMATIC NAME: 2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-yl-butanenitrile
MOLECULAR FORMULA: C21H28N2
MOLECULAR WEIGHT: 308.46042
SMILES: CCN(CC)CCC(C#N)(C1=CC=CC2=CC=CC=C21)C(C)C
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Product OPENEYE NAME: 4-(diethylamino)-2-(1-naphthyl)butanenitrile
CAS Name: 4-(diethylamino)-2-(1-naphthalenyl)butanenitrile
IUPAC NAME: 4-(diethylamino)-2-naphthalen-1-ylbutanenitrile
SYSTEMATIC NAME: 4-(diethylamino)-2-naphthalen-1-yl-butanenitrile
MOLECULAR FORMULA: C18H22N2
MOLECULAR WEIGHT: 266.38068
SMILES: CCN(CC)CCC(C#N)C1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: 4-morpholino-2-(1-naphthyl)butanenitrile
CAS Name: 4-(4-morpholinyl)-2-(1-naphthalenyl)butanenitrile
IUPAC NAME: 4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile
SYSTEMATIC NAME: 4-morpholin-4-yl-2-naphthalen-1-yl-butanenitrile
MOLECULAR FORMULA: C18H20N2O
MOLECULAR WEIGHT: 280.3642
SMILES: C1COCCN1CCC(C#N)C2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: 3-methyl-2-(1-naphthyl)-2-[2-(1-piperidyl)ethyl]butanenitrile
CAS Name: 3-methyl-2-(1-naphthalenyl)-2-[2-(1-piperidinyl)ethyl]butanenitrile
IUPAC NAME: 3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanenitrile
SYSTEMATIC NAME: 3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanenitrile
MOLECULAR FORMULA: C22H28N2
MOLECULAR WEIGHT: 320.47112
SMILES: CC(C)C(CCN1CCCCC1)(C#N)C2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: 4-(dimethylamino)-2-methyl-2-(1-naphthyl)butanenitrile
CAS Name: 4-(dimethylamino)-2-methyl-2-(1-naphthalenyl)butanenitrile
IUPAC NAME: 4-(dimethylamino)-2-methyl-2-naphthalen-1-ylbutanenitrile
SYSTEMATIC NAME: 4-(dimethylamino)-2-methyl-2-naphthalen-1-yl-butanenitrile
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: CC(CCN(C)C)(C#N)C1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: methyl 9-oxodecanoate
CAS Name: 9-oxodecanoic acid methyl ester
IUPAC NAME: methyl 9-oxodecanoate
SYSTEMATIC NAME: methyl 9-oxidanylidenedecanoate
MOLECULAR FORMULA: C11H20O3
MOLECULAR WEIGHT: 200.2747
SMILES: CC(=O)CCCCCCCC(=O)OC
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