Friday, March 2, 2012

http://ChemLookup.com Compounds




CAS RN: 5668-06-4
CAS Name: 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethyl-1-propanamine
OPENEYE Name: 2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]-N,N-dimethyl-propan-1-amine
IUPAC Name: 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: 2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C19H24ClNO
MOLECULAR WEIGHT: 317.85296
SMILES: CC(CN(C)C)OC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
Structure:

CAS RN: 55902-93-7
CAS Name: (3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-methoxy-4-phenylmethoxy-3-oxolanol
OPENEYE Name: (3R,4R,5R)-4-benzyloxy-5-[(1R)-1,2-dibenzyloxyethyl]-2-methoxy-tetrahydrofuran-3-ol
IUPAC Name: (3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-methoxy-4-phenylmethoxyoxolan-3-ol
SYSTEMATIC NAME: (3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-methoxy-4-phenylmethoxy-oxolan-3-ol
MOLECULAR FORMULA: C28H32O6
MOLECULAR WEIGHT: 464.55008
SMILES: COC1[C@@H]([C@H]([C@H](O1)[C@@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
Structure:

CAS RN: 164178-54-5
CAS Name: 4-[5-[(3S,4R)-3-hydroxy-2,2,3-trimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-3,4-dihydro-2H-1-benzopyran-6-yl]-1-tetrazolyl]butanoic acid ethyl ester
OPENEYE Name: ethyl 4-[5-[(3S,4R)-3-hydroxy-2,2,3-trimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]chroman-6-yl]tetrazol-1-yl]butanoate
IUPAC Name: ethyl 4-[5-[(3S,4R)-3-hydroxy-2,2,3-trimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-4H-chromen-6-yl]tetrazol-1-yl]butanoate
SYSTEMATIC NAME: ethyl 4-[5-[(3S,4R)-2,2,3-trimethyl-3-oxidanyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]-4H-chromen-6-yl]-1,2,3,4-tetrazol-1-yl]butanoate
MOLECULAR FORMULA: C23H28N6O6
MOLECULAR WEIGHT: 484.50502
SMILES: CCOC(=O)CCCN1C(=NN=N1)C2=CC3=C(C=C2)OC([C@@]([C@@H]3OC4=NNC(=O)C=C4)(C)O)(C)C
Structure:

CAS RN: 140945-32-0
CAS Name: 1-(2-ethoxyethyl)-2-[[4-[4-(1-pyrazolyl)butyl]-1-piperazinyl]methyl]benzimidazole
OPENEYE Name: 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole
IUPAC Name: 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole
SYSTEMATIC NAME: 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole
MOLECULAR FORMULA: C23H34N6O
MOLECULAR WEIGHT: 410.55566
SMILES: CCOCCN1C2=CC=CC=C2N=C1CN3CCN(CC3)CCCCN4C=CC=N4
Structure:

CAS RN: 18917-95-8
CAS Name: magnesium 2-oxidobenzoate tetrahydrate
OPENEYE Name: magnesium 2-oxidobenzoate tetrahydrate
IUPAC Name: magnesium 2-oxidobenzoate tetrahydrate
SYSTEMATIC NAME: magnesium 2-oxidanidylbenzoate tetrahydrate
MOLECULAR FORMULA: C14H16MgO10-2
MOLECULAR WEIGHT: 368.57584
SMILES: C1=CC=C(C(=C1)C(=O)[O-])[O-].C1=CC=C(C(=C1)C(=O)[O-])[O-].O.O.O.O.[Mg+2]
Structure:

CAS RN: 214548-46-6
CAS Name: 3-[2-(3,4-dihydro-1H-benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methyl-4-pyrido[1,2-a]pyrimidinone
OPENEYE Name: 3-[2-(3,4-dihydro-1H-benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methyl-pyrido[1,2-a]pyrimidin-4-one
IUPAC Name: 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methyl-pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C22H21N3O2
MOLECULAR WEIGHT: 359.42104
SMILES: CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC4=C(C3)C5=CC=CC=C5O4
Structure:

CAS RN: 85118-42-9
CAS Name: N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]-3-furancarboxamide
OPENEYE Name: N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
IUPAC Name: N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
SYSTEMATIC NAME: N-[(8-fluoranyl-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
MOLECULAR FORMULA: C22H20FN3O2
MOLECULAR WEIGHT: 377.411503
SMILES: CN1C(CN=C(C2=C1C=C(C=C2)F)C3=CC=CC=C3)CNC(=O)C4=COC=C4
Structure:

CAS RN: 94006-14-1
CAS Name: N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]-3-furancarboxamide
OPENEYE Name: N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
IUPAC Name: N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
SYSTEMATIC NAME: N-[(8-fluoranyl-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
MOLECULAR FORMULA: C22H20FN3O2
MOLECULAR WEIGHT: 377.411503
SMILES: CN1C(CN=C(C2=C1C=C(C=C2)F)C3=CC=CC=C3)CNC(=O)C4=COC=C4
Structure:

CAS RN: 53774-90-6
CAS Name: 2,8-bis(4-morpholinylmethyl)-1-cyclooctanone dihydrochloride
OPENEYE Name: 2,8-bis(morpholinomethyl)cyclooctanone dihydrochloride
IUPAC Name: 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one dihydrochloride
SYSTEMATIC NAME: 2,8-bis(morpholin-4-ylmethyl)cyclooctan-1-one dihydrochloride
MOLECULAR FORMULA: C18H34Cl2N2O3
MOLECULAR WEIGHT: 397.38016
SMILES: C1CCC(C(=O)C(CC1)CN2CCOCC2)CN3CCOCC3.Cl.Cl
Structure:

CAS RN: 53774-91-7
CAS Name: 2-[methoxy-(4-methylphenyl)methyl]-8-[(4-methylphenyl)methyl]-1-cyclooctanone
OPENEYE Name: 2-[methoxy(p-tolyl)methyl]-8-(p-tolylmethyl)cyclooctanone
IUPAC Name: 2-[methoxy-(4-methylphenyl)methyl]-8-[(4-methylphenyl)methyl]cyclooctan-1-one
SYSTEMATIC NAME: 2-[methoxy-(4-methylphenyl)methyl]-8-[(4-methylphenyl)methyl]cyclooctan-1-one
MOLECULAR FORMULA: C25H32O2
MOLECULAR WEIGHT: 364.52038
SMILES: CC1=CC=C(C=C1)CC2CCCCCC(C2=O)C(C3=CC=C(C=C3)C)OC
Structure:

CAS RN: 53774-92-8
CAS Name: (2Z,8E)-2,8-bis(4H-naphthalen-1-ylidene)-1-cyclooctanone
OPENEYE Name: (2Z,8E)-2,8-bis(4H-naphthalen-1-ylidene)cyclooctanone
IUPAC Name: (2Z,8E)-2,8-bis(4H-naphthalen-1-ylidene)cyclooctan-1-one
SYSTEMATIC NAME: (2Z,8E)-2,8-bis(4H-naphthalen-1-ylidene)cyclooctan-1-one
MOLECULAR FORMULA: C28H26O
MOLECULAR WEIGHT: 378.50544
SMILES: C1CC/C(=C\2/C=CCC3=CC=CC=C32)/C(=O)/C(=C\4/C=CCC5=CC=CC=C54)/CC1
Structure:

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