Monday, February 27, 2012

http://ChemLookup.com Compounds




CAS RN: 64230-61-1
CAS Name: 3-(4-chlorophenyl)-2-methyl-2-(1-piperidinyl)-1-propanol hydrochloride
OPENEYE Name: 3-(4-chlorophenyl)-2-methyl-2-(1-piperidyl)propan-1-ol hydrochloride
IUPAC Name: 3-(4-chlorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-ol hydrochloride
SYSTEMATIC NAME: 3-(4-chlorophenyl)-2-methyl-2-piperidin-1-yl-propan-1-ol hydrochloride
MOLECULAR FORMULA: C15H23Cl2NO
MOLECULAR WEIGHT: 304.25522
SMILES: CC(CC1=CC=C(C=C1)Cl)(CO)N2CCCCC2.Cl
Structure:

CAS RN: 64229-67-0
CAS Name: 1-[(5,6-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-(4-methoxyphenyl)piperazine
OPENEYE Name: 1-[(5,6-dimethoxyisochroman-1-yl)methyl]-4-(4-methoxyphenyl)piperazine
IUPAC Name: 1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-(4-methoxyphenyl)piperazine
SYSTEMATIC NAME: 1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-(4-methoxyphenyl)piperazine
MOLECULAR FORMULA: C23H30N2O4
MOLECULAR WEIGHT: 398.4953
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)CC3C4=C(CCO3)C(=C(C=C4)OC)OC
Structure:

CAS RN: 64204-56-4
CAS Name: 2-[4-(4-methylcyclohexyl)-1-piperazinyl]acetamide
OPENEYE Name: 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide
IUPAC Name: 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C13H25N3O
MOLECULAR WEIGHT: 239.3571
SMILES: CC1CCC(CC1)N2CCN(CC2)CC(=O)N
Structure:

CAS RN: 64204-32-6
CAS Name: 2-[[1-amino-2-(3,4-dichlorophenyl)-2-hydroxyethylidene]amino]acetic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-[[1-amino-2-(3,4-dichlorophenyl)-2-hydroxy-ethylidene]amino]acetate hydrochloride
IUPAC Name: ethyl 2-[[1-amino-2-(3,4-dichlorophenyl)-2-hydroxyethylidene]amino]acetate hydrochloride
SYSTEMATIC NAME: ethyl 2-[[1-azanyl-2-(3,4-dichlorophenyl)-2-oxidanyl-ethylidene]amino]ethanoate hydrochloride
MOLECULAR FORMULA: C12H15Cl3N2O3
MOLECULAR WEIGHT: 341.6181
SMILES: CCOC(=O)CN=C(C(C1=CC(=C(C=C1)Cl)Cl)O)N.Cl
Structure:

CAS RN: 64187-32-2
CAS Name: (2S)-2-ethenyl-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-benzyloxycarbonyl-2-vinyl-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-2-ethenyl-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: C=C[C@@]1(CCCN1C(=O)OCC2=CC=CC=C2)C(=O)O
Structure:

CAS RN: 64187-27-5
CAS Name: (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid ethenyl ester
OPENEYE Name: vinyl (2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoate
IUPAC Name: ethenyl (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
SYSTEMATIC NAME: ethenyl (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC(C)C[C@@H](C(=O)OC=C)NC(=O)OCC1=CC=CC=C1
Structure:

CAS RN: 64186-56-7
CAS Name: 2-(3-methyl-2-nitro-4-imidazolyl)propane-1,2-diol
OPENEYE Name: 2-(3-methyl-2-nitro-imidazol-4-yl)propane-1,2-diol
IUPAC Name: 2-(3-methyl-2-nitroimidazol-4-yl)propane-1,2-diol
SYSTEMATIC NAME: 2-(3-methyl-2-nitro-imidazol-4-yl)propane-1,2-diol
MOLECULAR FORMULA: C7H11N3O4
MOLECULAR WEIGHT: 201.17994
SMILES: CC(CO)(C1=CN=C(N1C)[N+](=O)[O-])O
Structure:

CAS RN: 64179-79-9
CAS Name: 1,3-dimethyl-6-phenyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
OPENEYE Name: 1,3-dimethyl-6-phenyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
IUPAC Name: 1,3-dimethyl-6-phenyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-6-phenyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H16N4O2
MOLECULAR WEIGHT: 272.30244
SMILES: CN1C2=C(CN(CN2)C3=CC=CC=C3)C(=O)N(C1=O)C
Structure:

CAS RN: 64179-78-8
CAS Name: 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
OPENEYE Name: 6-allyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
IUPAC Name: 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H16N4O2
MOLECULAR WEIGHT: 236.27034
SMILES: CN1C2=C(CN(CN2)CC=C)C(=O)N(C1=O)C
Structure:

CAS RN: 64179-77-7
CAS Name: 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
OPENEYE Name: 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
IUPAC Name: 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H16N4O2
MOLECULAR WEIGHT: 224.25964
SMILES: CCN1CC2=C(NC1)N(C(=O)N(C2=O)C)C
Structure:

CAS RN: 64179-39-1
CAS Name: 3-[(7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino]-3H-isobenzofuran-1-one
OPENEYE Name: 3-[(7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino]-3H-isobenzofuran-1-one
IUPAC Name: 3-[(7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3-[(7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C18H17NO4
MOLECULAR WEIGHT: 311.33188
SMILES: CC1=C(C=C2COCOC2=C1C)NC3C4=CC=CC=C4C(=O)O3
Structure:

CAS RN: 64179-38-0
CAS Name: N-(1,3-dihydroisobenzofuran-1-yl)-4H-1,3-benzodioxin-6-amine
OPENEYE Name: N-(1,3-dihydroisobenzofuran-1-yl)-4H-1,3-benzodioxin-6-amine
IUPAC Name: N-(1,3-dihydro-2-benzofuran-1-yl)-4H-1,3-benzodioxin-6-amine
SYSTEMATIC NAME: N-(1,3-dihydro-2-benzofuran-1-yl)-4H-1,3-benzodioxin-6-amine
MOLECULAR FORMULA: C16H15NO3
MOLECULAR WEIGHT: 269.2952
SMILES: C1C2=CC=CC=C2C(O1)NC3=CC4=C(C=C3)OCOC4
Structure:

CAS RN: 64179-37-9
CAS Name: acetic acid [6-[(3-oxo-1H-isobenzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl ester
OPENEYE Name: [6-[(3-oxo-1H-isobenzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl acetate
IUPAC Name: [6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl acetate
SYSTEMATIC NAME: [6-[(3-oxidanylidene-1H-2-benzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl ethanoate
MOLECULAR FORMULA: C19H17NO6
MOLECULAR WEIGHT: 355.34138
SMILES: CC(=O)OCC1COC2=C(O1)C=CC(=C2)NC3C4=CC=CC=C4C(=O)O3
Structure:

CAS RN: 64179-36-8
CAS Name: acetic acid [6-[(3-oxo-1H-isobenzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester
OPENEYE Name: [6-[(3-oxo-1H-isobenzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
IUPAC Name: [6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
SYSTEMATIC NAME: [6-[(3-oxidanylidene-1H-2-benzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ethanoate
MOLECULAR FORMULA: C19H17NO6
MOLECULAR WEIGHT: 355.34138
SMILES: CC(=O)OCC1COC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)O3
Structure:

CAS RN: 64179-35-7
CAS Name: 3-[[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-isobenzofuran-1-one
OPENEYE Name: 3-[[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-isobenzofuran-1-one
IUPAC Name: 3-[[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3-[[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C17H15NO5
MOLECULAR WEIGHT: 313.3047
SMILES: C1C(OC2=C(O1)C=CC(=C2)NC3C4=CC=CC=C4C(=O)O3)CO
Structure:

CAS RN: 64179-34-6
CAS Name: 3-[[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-isobenzofuran-1-one
OPENEYE Name: 3-[[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-isobenzofuran-1-one
IUPAC Name: 3-[[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3-[[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C17H15NO5
MOLECULAR WEIGHT: 313.3047
SMILES: C1C(OC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)O3)CO
Structure:

CAS RN: 64179-33-5
CAS Name: 6-[(3-oxo-1H-isobenzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic acid methyl ester
OPENEYE Name: methyl 6-[(3-oxo-1H-isobenzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylate
IUPAC Name: methyl 6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylate
SYSTEMATIC NAME: methyl 6-[(3-oxidanylidene-1H-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylate
MOLECULAR FORMULA: C17H13NO6
MOLECULAR WEIGHT: 327.28822
SMILES: COC(=O)C1=CC2=C(C=C1NC3C4=CC=CC=C4C(=O)O3)OCO2
Structure:

CAS RN: 64179-32-4
CAS Name: 6-[(3-oxo-1H-isobenzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic acid
OPENEYE Name: 6-[(3-oxo-1H-isobenzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic acid
IUPAC Name: 6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic acid
SYSTEMATIC NAME: 6-[(3-oxidanylidene-1H-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic acid
MOLECULAR FORMULA: C16H11NO6
MOLECULAR WEIGHT: 313.26164
SMILES: C1OC2=C(O1)C=C(C(=C2)C(=O)O)NC3C4=CC=CC=C4C(=O)O3
Structure:

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