Tuesday, April 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-imidazo[1,5-a]pyridin-5-ylbenzaldehyde
CAS Name: 4-(5-imidazo[1,5-a]pyridinyl)benzaldehyde
IUPAC NAME: 4-imidazo[1,5-a]pyridin-5-ylbenzaldehyde
SYSTEMATIC NAME: 4-imidazo[1,5-a]pyridin-5-ylbenzaldehyde
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1=CC2=CN=CN2C(=C1)C3=CC=C(C=C3)C=O
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Product OPENEYE NAME: (E)-3-(4-imidazo[1,5-a]pyridin-5-ylphenyl)-2-methyl-prop-2-enoic acid
CAS Name: (E)-3-[4-(5-imidazo[1,5-a]pyridinyl)phenyl]-2-methyl-2-propenoic acid
IUPAC NAME: (E)-3-(4-imidazo[1,5-a]pyridin-5-ylphenyl)-2-methylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-imidazo[1,5-a]pyridin-5-ylphenyl)-2-methyl-prop-2-enoic acid
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: C/C(=C\C1=CC=C(C=C1)C2=CC=CC3=CN=CN32)/C(=O)O
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Product OPENEYE NAME: 2-(4-imidazo[1,5-a]pyridin-5-ylbutylsulfanyl)acetic acid
CAS Name: 2-[4-(5-imidazo[1,5-a]pyridinyl)butylthio]acetic acid
IUPAC NAME: 2-(4-imidazo[1,5-a]pyridin-5-ylbutylsulfanyl)acetic acid
SYSTEMATIC NAME: 2-(4-imidazo[1,5-a]pyridin-5-ylbutylsulfanyl)ethanoic acid
MOLECULAR FORMULA: C13H16N2O2S
MOLECULAR WEIGHT: 264.34334
SMILES: C1=CC2=CN=CN2C(=C1)CCCCSCC(=O)O
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Product OPENEYE NAME: ethyl 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoate
CAS Name: 4-[4-(5-imidazo[1,5-a]pyridinyl)butoxy]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoate
SYSTEMATIC NAME: ethyl 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoate
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: CCOC(=O)C1=CC=C(C=C1)OCCCCC2=CC=CC3=CN=CN32
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Product OPENEYE NAME: 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoic acid
CAS Name: 4-[4-(5-imidazo[1,5-a]pyridinyl)butoxy]benzoic acid
IUPAC NAME: 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoic acid
SYSTEMATIC NAME: 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoic acid
MOLECULAR FORMULA: C18H18N2O3
MOLECULAR WEIGHT: 310.34712
SMILES: C1=CC2=CN=CN2C(=C1)CCCCOC3=CC=C(C=C3)C(=O)O
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Product OPENEYE NAME: 5-(4-bromophenyl)imidazo[1,5-a]pyridine
CAS Name: 5-(4-bromophenyl)imidazo[1,5-a]pyridine
IUPAC NAME: 5-(4-bromophenyl)imidazo[1,5-a]pyridine
SYSTEMATIC NAME: 5-(4-bromophenyl)imidazo[1,5-a]pyridine
MOLECULAR FORMULA: C13H9BrN2
MOLECULAR WEIGHT: 273.12796
SMILES: C1=CC2=CN=CN2C(=C1)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 6-(4-bromophenyl)pyridine-2-carbonitrile
CAS Name: 6-(4-bromophenyl)-2-pyridinecarbonitrile
IUPAC NAME: 6-(4-bromophenyl)pyridine-2-carbonitrile
SYSTEMATIC NAME: 6-(4-bromophenyl)pyridine-2-carbonitrile
MOLECULAR FORMULA: C12H7BrN2
MOLECULAR WEIGHT: 259.10138
SMILES: C1=CC(=NC(=C1)C2=CC=C(C=C2)Br)C#N
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Product OPENEYE NAME: [6-(4-bromophenyl)-2-pyridyl]methanamine
CAS Name: [6-(4-bromophenyl)-2-pyridinyl]methanamine
IUPAC NAME: [6-(4-bromophenyl)pyridin-2-yl]methanamine
SYSTEMATIC NAME: [6-(4-bromophenyl)pyridin-2-yl]methanamine
MOLECULAR FORMULA: C12H11BrN2
MOLECULAR WEIGHT: 263.13314
SMILES: C1=CC(=NC(=C1)CN)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: ethyl 4-[6-(aminomethyl)-2-pyridyl]benzoate
CAS Name: 4-[6-(aminomethyl)-2-pyridinyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[6-(aminomethyl)pyridin-2-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[6-(aminomethyl)pyridin-2-yl]benzoate
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=NC(=CC=C2)CN
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Product OPENEYE NAME: ethyl 4-[6-(formamidomethyl)-2-pyridyl]benzoate
CAS Name: 4-[6-(formamidomethyl)-2-pyridinyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[6-(formamidomethyl)pyridin-2-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[6-(formamidomethyl)pyridin-2-yl]benzoate
MOLECULAR FORMULA: C16H16N2O3
MOLECULAR WEIGHT: 284.30984
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=NC(=CC=C2)CNC=O
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Product OPENEYE NAME: N-[[6-(4-bromophenyl)-2-pyridyl]methyl]formamide
CAS Name: N-[[6-(4-bromophenyl)-2-pyridinyl]methyl]formamide
IUPAC NAME: N-[[6-(4-bromophenyl)pyridin-2-yl]methyl]formamide
SYSTEMATIC NAME: N-[[6-(4-bromophenyl)pyridin-2-yl]methyl]methanamide
MOLECULAR FORMULA: C13H11BrN2O
MOLECULAR WEIGHT: 291.14324
SMILES: C1=CC(=NC(=C1)CNC=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: (2S)-2-amino-4-fluoro-pentanedioic acid
CAS Name: (2S)-2-amino-4-fluoropentanedioic acid
IUPAC NAME: (2S)-2-amino-4-fluoropentanedioic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-fluoranyl-pentanedioic acid
MOLECULAR FORMULA: C5H8FNO4
MOLECULAR WEIGHT: 165.119723
SMILES: C([C@@H](C(=O)O)N)C(C(=O)O)F
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Product OPENEYE NAME: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
CAS Name: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
IUPAC NAME: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
SYSTEMATIC NAME: 9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one
MOLECULAR FORMULA: C20H23ClN2O3S
MOLECULAR WEIGHT: 406.92622
SMILES: CN(C)CCN1C2=C(C(=CC=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
CAS Name: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
IUPAC NAME: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
SYSTEMATIC NAME: 9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
MOLECULAR FORMULA: C20H24Cl2N2O3S
MOLECULAR WEIGHT: 443.38716
SMILES: CN(C)CCN1C2=C(C(=CC=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)OC.Cl
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