Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-cyano-3-[3-(1H-imidazol-2-yl)propyl]-2-phenyl-isourea
CAS Name: N-cyano-N'-[3-(1H-imidazol-2-yl)propyl]carbamimidic acid phenyl ester
IUPAC NAME: phenyl N-cyano-N'-[3-(1H-imidazol-2-yl)propyl]carbamimidate
SYSTEMATIC NAME: phenyl N-cyano-N'-[3-(1H-imidazol-2-yl)propyl]carbamimidate
MOLECULAR FORMULA: C14H15N5O
MOLECULAR WEIGHT: 269.3018
SMILES: C1=CC=C(C=C1)OC(=NCCCC2=NC=CN2)NC#N
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Product OPENEYE NAME: 1-cyano-3-[3-(5-methyl-1H-imidazol-2-yl)propyl]-2-phenyl-isourea
CAS Name: N-cyano-N'-[3-(5-methyl-1H-imidazol-2-yl)propyl]carbamimidic acid phenyl ester
IUPAC NAME: phenyl N-cyano-N'-[3-(5-methyl-1H-imidazol-2-yl)propyl]carbamimidate
SYSTEMATIC NAME: phenyl N-cyano-N'-[3-(5-methyl-1H-imidazol-2-yl)propyl]carbamimidate
MOLECULAR FORMULA: C15H17N5O
MOLECULAR WEIGHT: 283.32838
SMILES: CC1=CN=C(N1)CCCN=C(NC#N)OC2=CC=CC=C2
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Product OPENEYE NAME: 1-cyano-3-[3-(4,5-dimethyl-1H-imidazol-2-yl)propyl]-2-phenyl-isourea
CAS Name: N-cyano-N'-[3-(4,5-dimethyl-1H-imidazol-2-yl)propyl]carbamimidic acid phenyl ester
IUPAC NAME: phenyl N-cyano-N'-[3-(4,5-dimethyl-1H-imidazol-2-yl)propyl]carbamimidate
SYSTEMATIC NAME: phenyl N-cyano-N'-[3-(4,5-dimethyl-1H-imidazol-2-yl)propyl]carbamimidate
MOLECULAR FORMULA: C16H19N5O
MOLECULAR WEIGHT: 297.35496
SMILES: CC1=C(N=C(N1)CCCN=C(NC#N)OC2=CC=CC=C2)C
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Product OPENEYE NAME: 1-cyano-2-phenyl-3-[3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]isourea
CAS Name: N-cyano-N'-[3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamimidic acid phenyl ester
IUPAC NAME: phenyl N-cyano-N'-[3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamimidate
SYSTEMATIC NAME: phenyl N-cyano-N'-[3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamimidate
MOLECULAR FORMULA: C18H21N5O
MOLECULAR WEIGHT: 323.39224
SMILES: C1CCC2=C(C1)NC(=N2)CCCN=C(NC#N)OC3=CC=CC=C3
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Product OPENEYE NAME: methyl 2-[[(Z)-3-oxobut-1-enyl]amino]benzoate
CAS Name: 2-[[(Z)-3-oxobut-1-enyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 2-[[(Z)-3-oxobut-1-enyl]amino]benzoate
SYSTEMATIC NAME: methyl 2-[[(Z)-3-oxidanylidenebut-1-enyl]amino]benzoate
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC(=O)/C=C\NC1=CC=CC=C1C(=O)OC
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Product OPENEYE NAME: ethyl 2-[[(Z)-3-oxobut-1-enyl]amino]benzoate
CAS Name: 2-[[(Z)-3-oxobut-1-enyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 2-[[(Z)-3-oxobut-1-enyl]amino]benzoate
SYSTEMATIC NAME: ethyl 2-[[(Z)-3-oxidanylidenebut-1-enyl]amino]benzoate
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: CCOC(=O)C1=CC=CC=C1N/C=C\C(=O)C
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Product OPENEYE NAME: 2-[[(Z)-3-oxobut-1-enyl]amino]benzonitrile
CAS Name: 2-[[(Z)-3-oxobut-1-enyl]amino]benzonitrile
IUPAC NAME: 2-[[(Z)-3-oxobut-1-enyl]amino]benzonitrile
SYSTEMATIC NAME: 2-[[(Z)-3-oxidanylidenebut-1-enyl]amino]benzenecarbonitrile
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: CC(=O)/C=C\NC1=CC=CC=C1C#N
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Product OPENEYE NAME: (Z)-4-(2-acetylanilino)but-3-en-2-one
CAS Name: (Z)-4-(2-acetylanilino)-3-buten-2-one
IUPAC NAME: (Z)-4-(2-acetylanilino)but-3-en-2-one
SYSTEMATIC NAME: (Z)-4-[(2-ethanoylphenyl)amino]but-3-en-2-one
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CC(=O)/C=C\NC1=CC=CC=C1C(=O)C
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Product OPENEYE NAME: (Z)-4-(2-benzoylanilino)but-3-en-2-one
CAS Name: (Z)-4-(2-benzoylanilino)-3-buten-2-one
IUPAC NAME: (Z)-4-(2-benzoylanilino)but-3-en-2-one
SYSTEMATIC NAME: (Z)-4-[[2-(phenylcarbonyl)phenyl]amino]but-3-en-2-one
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: CC(=O)/C=C\NC1=CC=CC=C1C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: methyl 2-[[(Z)-3-oxo-1,3-diphenyl-prop-1-enyl]amino]benzoate
CAS Name: 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]benzoate
SYSTEMATIC NAME: methyl 2-[[(Z)-3-oxidanylidene-1,3-diphenyl-prop-1-enyl]amino]benzoate
MOLECULAR FORMULA: C23H19NO3
MOLECULAR WEIGHT: 357.40186
SMILES: COC(=O)C1=CC=CC=C1N/C(=C\C(=O)C2=CC=CC=C2)/C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 2-[[(Z)-3-oxo-1,3-diphenyl-prop-1-enyl]amino]benzoate
CAS Name: 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]benzoate
SYSTEMATIC NAME: ethyl 2-[[(Z)-3-oxidanylidene-1,3-diphenyl-prop-1-enyl]amino]benzoate
MOLECULAR FORMULA: C24H21NO3
MOLECULAR WEIGHT: 371.42844
SMILES: CCOC(=O)C1=CC=CC=C1N/C(=C\C(=O)C2=CC=CC=C2)/C3=CC=CC=C3
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