Sunday, April 29, 2012

http://ChemLookup.com Compounds




CAS RN: 68444-02-0
CAS Name: (3S)-3-amino-3-(2-chlorophenyl)propanoic acid
OPENEYE Name: (3S)-3-amino-3-(2-chlorophenyl)propanoic acid
IUPAC Name: (3S)-3-amino-3-(2-chlorophenyl)propanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-3-(2-chlorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: C1=CC=C(C(=C1)[C@H](CC(=O)O)N)Cl
Structure:

CAS RN: 763922-37-8
CAS Name: (3S)-3-amino-3-(2-chlorophenyl)propanoic acid
OPENEYE Name: (3S)-3-amino-3-(2-chlorophenyl)propanoic acid
IUPAC Name: (3S)-3-amino-3-(2-chlorophenyl)propanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-3-(2-chlorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: C1=CC=C(C(=C1)[C@H](CC(=O)O)N)Cl
Structure:

CAS RN: 68444-01-9
CAS Name: (3R)-3-amino-3-(2-chlorophenyl)propanoic acid
OPENEYE Name: (3R)-3-amino-3-(2-chlorophenyl)propanoic acid
IUPAC Name: (3R)-3-amino-3-(2-chlorophenyl)propanoic acid
SYSTEMATIC NAME: (3R)-3-azanyl-3-(2-chlorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: C1=CC=C(C(=C1)[C@@H](CC(=O)O)N)Cl
Structure:

CAS RN: 17452-12-9
CAS Name: 3-(4-chlorophenyl)-1H-imidazole-2-thione
OPENEYE Name: 3-(4-chlorophenyl)-1H-imidazole-2-thione
IUPAC Name: 3-(4-chlorophenyl)-1H-imidazole-2-thione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1H-imidazole-2-thione
MOLECULAR FORMULA: C9H7ClN2S
MOLECULAR WEIGHT: 210.68328
SMILES: C1=CC(=CC=C1N2C=CNC2=S)Cl
Structure:

CAS RN: 175673-63-9
CAS Name: 3-(4-chlorophenyl)-1H-imidazole-2-thione
OPENEYE Name: 3-(4-chlorophenyl)-1H-imidazole-2-thione
IUPAC Name: 3-(4-chlorophenyl)-1H-imidazole-2-thione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1H-imidazole-2-thione
MOLECULAR FORMULA: C9H7ClN2S
MOLECULAR WEIGHT: 210.68328
SMILES: C1=CC(=CC=C1N2C=CNC2=S)Cl
Structure:

CAS RN: 5931-57-7
CAS Name: 1-(2-furanylmethyl)-4-[(3-nitrophenyl)methyl]piperazine
OPENEYE Name: 1-(2-furylmethyl)-4-[(3-nitrophenyl)methyl]piperazine
IUPAC Name: 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine
MOLECULAR FORMULA: C16H19N3O3
MOLECULAR WEIGHT: 301.34036
SMILES: C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CO3
Structure:

CAS RN: 5428-31-9
CAS Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(1-piperidinyl)piperidine
OPENEYE Name: 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-(1-piperidyl)piperidine
IUPAC Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-piperidin-1-ylpiperidine
SYSTEMATIC NAME: 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-piperidin-1-yl-piperidine
MOLECULAR FORMULA: C20H32N2O2
MOLECULAR WEIGHT: 332.48028
SMILES: CC1=C(C=CC(=C1OC)CN2CCC(CC2)N3CCCCC3)OC
Structure:

CAS RN: 310466-37-6
CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid
OPENEYE Name: 4-fluorobenzothiophene-2-carboxylic acid
IUPAC Name: 4-fluoro-1-benzothiophene-2-carboxylic acid
SYSTEMATIC NAME: 4-fluoranyl-1-benzothiophene-2-carboxylic acid
MOLECULAR FORMULA: C9H5FO2S
MOLECULAR WEIGHT: 196.198203
SMILES: C1=CC(=C2C=C(SC2=C1)C(=O)O)F
Structure:

CAS RN: 147636-36-0
CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid
OPENEYE Name: 1-(p-tolylsulfonyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
MOLECULAR FORMULA: C13H17NO4S
MOLECULAR WEIGHT: 283.34338
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O
Structure:

CAS RN: 32120-43-7
CAS Name: (2R)-2-chloro-3-oxo-N-phenylbutanamide
OPENEYE Name: (2R)-2-chloro-3-oxo-N-phenyl-butanamide
IUPAC Name: (2R)-2-chloro-3-oxo-N-phenylbutanamide
SYSTEMATIC NAME: (2R)-2-chloranyl-3-oxidanylidene-N-phenyl-butanamide
MOLECULAR FORMULA: C10H10ClNO2
MOLECULAR WEIGHT: 211.6449
SMILES: CC(=O)[C@H](C(=O)NC1=CC=CC=C1)Cl
Structure:

CAS RN: 32119-44-1
CAS Name: (2S)-2-chloro-3-oxo-N-phenylbutanamide
OPENEYE Name: (2S)-2-chloro-3-oxo-N-phenyl-butanamide
IUPAC Name: (2S)-2-chloro-3-oxo-N-phenylbutanamide
SYSTEMATIC NAME: (2S)-2-chloranyl-3-oxidanylidene-N-phenyl-butanamide
MOLECULAR FORMULA: C10H10ClNO2
MOLECULAR WEIGHT: 211.6449
SMILES: CC(=O)[C@@H](C(=O)NC1=CC=CC=C1)Cl
Structure:

CAS RN: 150986-82-6
CAS Name: 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile
OPENEYE Name: 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile
IUPAC Name: 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile
MOLECULAR FORMULA: C8H8N2OS
MOLECULAR WEIGHT: 180.22692
SMILES: C1COCC2=C1C(=C(S2)N)C#N
Structure:

CAS RN: 90557-92-9
CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide
OPENEYE Name: (3R)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
IUPAC Name: (3R)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SYSTEMATIC NAME: (3R)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: C1[C@@H](OC2=CC=CC=C2O1)C(=O)NN
Structure:

CAS RN: 91426-77-6
CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide
OPENEYE Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
IUPAC Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SYSTEMATIC NAME: (3S)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: C1[C@H](OC2=CC=CC=C2O1)C(=O)NN
Structure:

CAS RN: 90557-92-9
CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide
OPENEYE Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
IUPAC Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SYSTEMATIC NAME: (3S)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: C1[C@H](OC2=CC=CC=C2O1)C(=O)NN
Structure:

CAS RN: 5021-44-3
CAS Name: 2-(3-nitrophenyl)quinoxaline
OPENEYE Name: 2-(3-nitrophenyl)quinoxaline
IUPAC Name: 2-(3-nitrophenyl)quinoxaline
SYSTEMATIC NAME: 2-(3-nitrophenyl)quinoxaline
MOLECULAR FORMULA: C14H9N3O2
MOLECULAR WEIGHT: 251.24016
SMILES: C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]
Structure:

CAS RN: 71214-83-0
CAS Name: 2-[(2-anilino-2-oxoethyl)thio]acetic acid
OPENEYE Name: 2-(2-anilino-2-oxo-ethyl)sulfanylacetic acid
IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoic acid
MOLECULAR FORMULA: C10H11NO3S
MOLECULAR WEIGHT: 225.26424
SMILES: C1=CC=C(C=C1)NC(=O)CSCC(=O)O
Structure:

CAS RN: 7521-41-7
CAS Name: 2-amino-3-pyridinecarboxaldehyde
OPENEYE Name: 2-aminopyridine-3-carbaldehyde
IUPAC Name: 2-aminopyridine-3-carbaldehyde
SYSTEMATIC NAME: 2-azanylpyridine-3-carbaldehyde
MOLECULAR FORMULA: C6H6N2O
MOLECULAR WEIGHT: 122.12464
SMILES: C1=CC(=C(N=C1)N)C=O
Structure:

CAS RN: 36404-88-3
CAS Name: 2-chloro-3-pyridinecarboxaldehyde
OPENEYE Name: 2-chloropyridine-3-carbaldehyde
IUPAC Name: 2-chloropyridine-3-carbaldehyde
SYSTEMATIC NAME: 2-chloranylpyridine-3-carbaldehyde
MOLECULAR FORMULA: C6H4ClNO
MOLECULAR WEIGHT: 141.55506
SMILES: C1=CC(=C(N=C1)Cl)C=O
Structure:

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