Monday, April 30, 2012

http://ChemLookup.com Compounds




CAS RN: 2051-07-2
CAS Name: (4E)-1,5-bis(4-methoxyphenyl)-3-penta-1,4-dienone
OPENEYE Name: (4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
IUPAC Name: (4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
SYSTEMATIC NAME: (4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
MOLECULAR FORMULA: C19H18O3
MOLECULAR WEIGHT: 294.34442
SMILES: COC1=CC=C(C=C1)C=CC(=O)/C=C/C2=CC=C(C=C2)OC
Structure:

CAS RN: 80403-82-3
CAS Name: 3-(3-chloro-5-isoxazolyl)propanoic acid
OPENEYE Name: 3-(3-chloroisoxazol-5-yl)propanoic acid
IUPAC Name: 3-(3-chloro-1,2-oxazol-5-yl)propanoic acid
SYSTEMATIC NAME: 3-(3-chloranyl-1,2-oxazol-5-yl)propanoic acid
MOLECULAR FORMULA: C6H6ClNO3
MOLECULAR WEIGHT: 175.56974
SMILES: C1=C(ON=C1Cl)CCC(=O)O
Structure:

CAS RN: 375359-83-4
CAS Name: 1-(2-chloro-1-oxoethyl)-4-piperidinecarboxamide
OPENEYE Name: 1-(2-chloroacetyl)piperidine-4-carboxamide
IUPAC Name: 1-(2-chloroacetyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(2-chloranylethanoyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C8H13ClN2O2
MOLECULAR WEIGHT: 204.65402
SMILES: C1CN(CCC1C(=O)N)C(=O)CCl
Structure:

CAS RN: 68443-98-1
CAS Name: (3S)-3-amino-3-(3-methoxyphenyl)propanoic acid
OPENEYE Name: (3S)-3-amino-3-(3-methoxyphenyl)propanoic acid
IUPAC Name: (3S)-3-amino-3-(3-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-3-(3-methoxyphenyl)propanoic acid
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: COC1=CC=CC(=C1)[C@H](CC(=O)O)N
Structure:

CAS RN: 93865-37-3
CAS Name: (2S)-2-amino-3-phenyl-1-(1-piperidinyl)-1-propanone
OPENEYE Name: (2S)-2-amino-3-phenyl-1-(1-piperidyl)propan-1-one
IUPAC Name: (2S)-2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one
SYSTEMATIC NAME: (2S)-2-azanyl-3-phenyl-1-piperidin-1-yl-propan-1-one
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: C1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)N
Structure:

CAS RN: 37060-36-9
CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid
OPENEYE Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid
MOLECULAR FORMULA: C10H9N3O2S
MOLECULAR WEIGHT: 235.26236
SMILES: C1=CC=C(C=C1)N2C=NN=C2SCC(=O)O
Structure:

CAS RN: 5996-13-4
CAS Name: 2-(4-chlorophenyl)-4-(4-methyl-1-piperazinyl)quinazoline
OPENEYE Name: 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline
IUPAC Name: 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline
SYSTEMATIC NAME: 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline
MOLECULAR FORMULA: C19H19ClN4
MOLECULAR WEIGHT: 338.83396
SMILES: CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl
Structure:

CAS RN: 66315-44-4
CAS Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetic acid
OPENEYE Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
IUPAC Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid
MOLECULAR FORMULA: C9H8N4O2S
MOLECULAR WEIGHT: 236.25042
SMILES: C1=CN=CC=C1C2=NC(=NN2)SCC(=O)O
Structure:

CAS RN: 105041-27-8
CAS Name: 2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetate
IUPAC Name: methyl 2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetate
SYSTEMATIC NAME: methyl 2-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)ethanoate
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: COC(=O)CC1=CC(=O)N(N1)C2=CC=CC=C2
Structure:

CAS RN: 137553-48-1
CAS Name: 5-fluoro-4-quinazolinamine
OPENEYE Name: 5-fluoroquinazolin-4-amine
IUPAC Name: 5-fluoroquinazolin-4-amine
SYSTEMATIC NAME: 5-fluoranylquinazolin-4-amine
MOLECULAR FORMULA: C8H6FN3
MOLECULAR WEIGHT: 163.151743
SMILES: C1=CC2=C(C(=C1)F)C(=NC=N2)N
Structure:

CAS RN: 18677-41-3
CAS Name: 2,6-dimethoxy-3-nitropyridine
OPENEYE Name: 2,6-dimethoxy-3-nitro-pyridine
IUPAC Name: 2,6-dimethoxy-3-nitropyridine
SYSTEMATIC NAME: 2,6-dimethoxy-3-nitro-pyridine
MOLECULAR FORMULA: C7H8N2O4
MOLECULAR WEIGHT: 184.14942
SMILES: COC1=NC(=C(C=C1)[N+](=O)[O-])OC
Structure:

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