Friday, March 30, 2012

http://ChemLookup.com Compounds




CAS RN: 92109-03-0
CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid
OPENEYE Name: 4-(azepan-1-yl)-3-nitro-benzoic acid
IUPAC Name: 4-(azepan-1-yl)-3-nitrobenzoic acid
SYSTEMATIC NAME: 4-(azepan-1-yl)-3-nitro-benzoic acid
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]
Structure:

CAS RN: 42106-50-3
CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid
OPENEYE Name: 5-nitro-2-(1-piperidyl)benzoic acid
IUPAC Name: 5-nitro-2-piperidin-1-ylbenzoic acid
SYSTEMATIC NAME: 5-nitro-2-piperidin-1-yl-benzoic acid
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O
Structure:

CAS RN: 4457-92-5
CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-adamantanamine
OPENEYE Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]adamantan-1-amine
IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]adamantan-1-amine
SYSTEMATIC NAME: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]adamantan-1-amine
MOLECULAR FORMULA: C25H31NO2
MOLECULAR WEIGHT: 377.51914
SMILES: COC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5
Structure:

CAS RN: 39629-90-8
CAS Name: 1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: COC1=CC=CC=C1N2CC(CC2=O)C(=O)O
Structure:

CAS RN: 163180-68-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CN1CC23C=CC(O2)C(C3C1=O)C(=O)O
Structure:

CAS RN: 14261-91-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: CC1=CC=C(C=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O
Structure:

CAS RN: 5427-38-3
CAS Name: 4-[(cyclohexylamino)methyl]-2-methoxyphenol hydrochloride
OPENEYE Name: 4-[(cyclohexylamino)methyl]-2-methoxy-phenol hydrochloride
IUPAC Name: 4-[(cyclohexylamino)methyl]-2-methoxyphenol hydrochloride
SYSTEMATIC NAME: 4-[(cyclohexylamino)methyl]-2-methoxy-phenol hydrochloride
MOLECULAR FORMULA: C14H22ClNO2
MOLECULAR WEIGHT: 271.78298
SMILES: COC1=C(C=CC(=C1)CNC2CCCCC2)O.Cl
Structure:

CAS RN: 5461-17-6
CAS Name: 4-[(cyclohexylamino)methyl]phenol hydrochloride
OPENEYE Name: 4-[(cyclohexylamino)methyl]phenol hydrochloride
IUPAC Name: 4-[(cyclohexylamino)methyl]phenol hydrochloride
SYSTEMATIC NAME: 4-[(cyclohexylamino)methyl]phenol hydrochloride
MOLECULAR FORMULA: C13H20ClNO
MOLECULAR WEIGHT: 241.757
SMILES: C1CCC(CC1)NCC2=CC=C(C=C2)O.Cl
Structure:

CAS RN: 5442-65-9
CAS Name: 2-[(cyclohexylamino)methyl]-6-methoxyphenol hydrochloride
OPENEYE Name: 2-[(cyclohexylamino)methyl]-6-methoxy-phenol hydrochloride
IUPAC Name: 2-[(cyclohexylamino)methyl]-6-methoxyphenol hydrochloride
SYSTEMATIC NAME: 2-[(cyclohexylamino)methyl]-6-methoxy-phenol hydrochloride
MOLECULAR FORMULA: C14H22ClNO2
MOLECULAR WEIGHT: 271.78298
SMILES: COC1=CC=CC(=C1O)CNC2CCCCC2.Cl
Structure:

CAS RN: 4445-81-2
CAS Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate
IUPAC Name: ethyl 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate
SYSTEMATIC NAME: ethyl 4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoate
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(N2)C
Structure:

CAS RN: 59395-23-2
CAS Name: 2-(4-chlorophenyl)-5-ethyl-5-methyl-1,2,4-triazolidine-3-thione
OPENEYE Name: 2-(4-chlorophenyl)-5-ethyl-5-methyl-1,2,4-triazolidine-3-thione
IUPAC Name: 2-(4-chlorophenyl)-5-ethyl-5-methyl-1,2,4-triazolidine-3-thione
SYSTEMATIC NAME: 2-(4-chlorophenyl)-5-ethyl-5-methyl-1,2,4-triazolidine-3-thione
MOLECULAR FORMULA: C11H14ClN3S
MOLECULAR WEIGHT: 255.76696
SMILES: CCC1(NC(=S)N(N1)C2=CC=C(C=C2)Cl)C
Structure:

CAS RN: 95211-69-1
CAS Name: 5-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 5-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 5-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 5-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C11H12N2OS
MOLECULAR WEIGHT: 220.29078
SMILES: CC1CCCC2=C1C3=C(S2)N=CNC3=O
Structure:

CAS RN: 4443-41-8
CAS Name: 4-[[5-(4-bromo-3-nitrophenyl)-2-furanyl]methylidene]-2-(3-chlorophenyl)-5-methyl-3-pyrazolone
OPENEYE Name: 4-[[5-(4-bromo-3-nitro-phenyl)-2-furyl]methylene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one
IUPAC Name: 4-[[5-(4-bromo-3-nitrophenyl)furan-2-yl]methylidene]-2-(3-chlorophenyl)-5-methylpyrazol-3-one
SYSTEMATIC NAME: 4-[[5-(4-bromanyl-3-nitro-phenyl)furan-2-yl]methylidene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one
MOLECULAR FORMULA: C21H13BrClN3O4
MOLECULAR WEIGHT: 486.70262
SMILES: CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Br)[N+](=O)[O-])C4=CC(=CC=C4)Cl
Structure:

CAS RN: 63906-95-6
CAS Name: 2-[(4-nitrophenyl)methylthio]-4,5-dihydro-1H-imidazole hydrobromide
OPENEYE Name: 2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole hydrobromide
IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole hydrobromide
SYSTEMATIC NAME: 2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole hydrobromide
MOLECULAR FORMULA: C10H12BrN3O2S
MOLECULAR WEIGHT: 318.19018
SMILES: C1CN=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-].Br
Structure:

CAS RN: 5396-78-1
CAS Name: 2,2-diphenylacetic acid (1-methyl-3-piperidinyl) ester hydrochloride
OPENEYE Name: (1-methyl-3-piperidyl) 2,2-diphenylacetate hydrochloride
IUPAC Name: (1-methylpiperidin-3-yl) 2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: (1-methylpiperidin-3-yl) 2,2-diphenylethanoate hydrochloride
MOLECULAR FORMULA: C20H24ClNO2
MOLECULAR WEIGHT: 345.86306
SMILES: CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:

CAS RN: 5671-55-6
CAS Name: N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
OPENEYE Name: N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
IUPAC Name: N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C13H15N3O2S
MOLECULAR WEIGHT: 277.3421
SMILES: CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C
Structure:

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