Monday, January 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 7-(indolin-1-ylmethyl)-3-methyl-thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-(2,3-dihydroindol-1-ylmethyl)-3-methyl-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-(2,3-dihydroindol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-(2,3-dihydroindol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C16H15N3OS
MOLECULAR WEIGHT: 297.3748
SMILES: CC1=CSC2=NC(=CC(=O)N12)CN3CCC4=CC=CC=C43
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Product OPENEYE NAME: 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenol
CAS Name: 2-[4-(2-methylsulfonylethyl)-1-piperazinyl]phenol
IUPAC NAME: 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenol
SYSTEMATIC NAME: 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenol
MOLECULAR FORMULA: C13H20N2O3S
MOLECULAR WEIGHT: 284.3745
SMILES: CS(=O)(=O)CCN1CCN(CC1)C2=CC=CC=C2O
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Product OPENEYE NAME: 1-[2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide
CAS Name: 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-4-piperidinecarboxamide
IUPAC NAME: 1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C17H25N3O4
MOLECULAR WEIGHT: 335.3981
SMILES: CC(C(=O)NC1=C(C=CC(=C1)OC)OC)N2CCC(CC2)C(=O)N
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfonylethyl)piperazine
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfonylethyl)piperazine
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfonylethyl)piperazine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfonylethyl)piperazine
MOLECULAR FORMULA: C15H22N2O4S
MOLECULAR WEIGHT: 326.41118
SMILES: CS(=O)(=O)CCN1CCN(CC1)CC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: ethyl 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
CAS Name: 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C17H20ClN3O3
MOLECULAR WEIGHT: 349.812
SMILES: CCOC(=O)C1CCCN(C1)CC2=NN=C(O2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: ethyl 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]piperidine-3-carboxylate
CAS Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C18H26N2O4
MOLECULAR WEIGHT: 334.41004
SMILES: CCOC(=O)C1CCCN(C1)CC(=O)C2=C(C(=C(N2)C)C(=O)C)C
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Product OPENEYE NAME: ethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]piperidine-3-carboxylate
CAS Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C17H22N2O5
MOLECULAR WEIGHT: 334.36698
SMILES: CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]piperidine-3-carboxylate
CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC3=C(C=C2)OCCO3
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Product OPENEYE NAME: 2-[benzyl(ethyl)amino]-N-cyclopropyl-acetamide
CAS Name: N-cyclopropyl-2-[ethyl-(phenylmethyl)amino]acetamide
IUPAC NAME: 2-[benzyl(ethyl)amino]-N-cyclopropylacetamide
SYSTEMATIC NAME: N-cyclopropyl-2-[ethyl-(phenylmethyl)amino]ethanamide
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CCN(CC1=CC=CC=C1)CC(=O)NC2CC2
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Product OPENEYE NAME: 1-[(5-phenyloxazol-2-yl)methyl]piperidin-3-ol
CAS Name: 1-[(5-phenyl-2-oxazolyl)methyl]-3-piperidinol
IUPAC NAME: 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
SYSTEMATIC NAME: 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: C1CC(CN(C1)CC2=NC=C(O2)C3=CC=CC=C3)O
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Product OPENEYE NAME: 1-[[2-(3-methoxyphenyl)thiazol-4-yl]methyl]piperidin-3-ol
CAS Name: 1-[[2-(3-methoxyphenyl)-4-thiazolyl]methyl]-3-piperidinol
IUPAC NAME: 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
SYSTEMATIC NAME: 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
MOLECULAR FORMULA: C16H20N2O2S
MOLECULAR WEIGHT: 304.4072
SMILES: COC1=CC=CC(=C1)C2=NC(=CS2)CN3CCCC(C3)O
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Product OPENEYE NAME: 2-[[2-(3-hydroxy-1-piperidyl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CAS Name: 2-[[2-(3-hydroxy-1-piperidinyl)-1-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
IUPAC NAME: 2-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[2-(3-oxidanylpiperidin-1-yl)ethanoylamino]-N-(2,4,6-trimethylphenyl)ethanamide
MOLECULAR FORMULA: C18H27N3O3
MOLECULAR WEIGHT: 333.42528
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CN2CCCC(C2)O)C
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Product OPENEYE NAME: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-hydroxy-1-piperidyl)acetamide
CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-2-(3-hydroxy-1-piperidinyl)acetamide
IUPAC NAME: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-hydroxypiperidin-1-yl)acetamide
SYSTEMATIC NAME: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-oxidanylpiperidin-1-yl)ethanamide
MOLECULAR FORMULA: C16H27N3O3
MOLECULAR WEIGHT: 309.40388
SMILES: C1CCC(=CC1)CCNC(=O)NC(=O)CN2CCCC(C2)O
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Product OPENEYE NAME: 2-(3-hydroxy-1-piperidyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CAS Name: 2-(3-hydroxy-1-piperidinyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
IUPAC NAME: 2-(3-hydroxypiperidin-1-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
SYSTEMATIC NAME: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-oxidanylpiperidin-1-yl)ethanone
MOLECULAR FORMULA: C17H24N2O2S
MOLECULAR WEIGHT: 320.44966
SMILES: CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCCC(C3)O
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Product OPENEYE NAME: 2-(3-hydroxy-1-piperidyl)-N-(3-methoxyphenyl)acetamide
CAS Name: 2-(3-hydroxy-1-piperidinyl)-N-(3-methoxyphenyl)acetamide
IUPAC NAME: 2-(3-hydroxypiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
SYSTEMATIC NAME: N-(3-methoxyphenyl)-2-(3-oxidanylpiperidin-1-yl)ethanamide
MOLECULAR FORMULA: C14H20N2O3
MOLECULAR WEIGHT: 264.3202
SMILES: COC1=CC=CC(=C1)NC(=O)CN2CCCC(C2)O
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Product OPENEYE NAME: 1-[(2-phenylthiazol-4-yl)methyl]piperidin-3-ol
CAS Name: 1-[(2-phenyl-4-thiazolyl)methyl]-3-piperidinol
IUPAC NAME: 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SYSTEMATIC NAME: 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
MOLECULAR FORMULA: C15H18N2OS
MOLECULAR WEIGHT: 274.38122
SMILES: C1CC(CN(C1)CC2=CSC(=N2)C3=CC=CC=C3)O
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Product OPENEYE NAME: 2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
CAS Name: 2-[4-(2-phenoxyethyl)-1-piperazinyl]pyrimidine
IUPAC NAME: 2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
SYSTEMATIC NAME: 2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
MOLECULAR FORMULA: C16H20N4O
MOLECULAR WEIGHT: 284.3562
SMILES: C1CN(CCN1CCOC2=CC=CC=C2)C3=NC=CC=N3
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Product OPENEYE NAME: 2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]pyrimidine
CAS Name: 2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]pyrimidine
IUPAC NAME: 2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine
SYSTEMATIC NAME: 2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine
MOLECULAR FORMULA: C15H19N5
MOLECULAR WEIGHT: 269.34486
SMILES: C1CN(CCN1CCC2=CC=NC=C2)C3=NC=CC=N3
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Product OPENEYE NAME: 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrimidine
CAS Name: 2-[4-(2-methylsulfonylethyl)-1-piperazinyl]pyrimidine
IUPAC NAME: 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrimidine
SYSTEMATIC NAME: 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrimidine
MOLECULAR FORMULA: C11H18N4O2S
MOLECULAR WEIGHT: 270.35122
SMILES: CS(=O)(=O)CCN1CCN(CC1)C2=NC=CC=N2
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Product OPENEYE NAME: 2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]pyrimidine
CAS Name: 2-[4-[2-(2-fluorophenoxy)ethyl]-1-piperazinyl]pyrimidine
IUPAC NAME: 2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]pyrimidine
SYSTEMATIC NAME: 2-[4-[2-(2-fluoranylphenoxy)ethyl]piperazin-1-yl]pyrimidine
MOLECULAR FORMULA: C16H19FN4O
MOLECULAR WEIGHT: 302.346663
SMILES: C1CN(CCN1CCOC2=CC=CC=C2F)C3=NC=CC=N3
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Product OPENEYE NAME: 3,5-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
MOLECULAR FORMULA: C14H19N5O
MOLECULAR WEIGHT: 273.33356
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=NC=CC=N3
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Product OPENEYE NAME: 1-[2-(benzenesulfonyl)ethyl]-4-methyl-piperidine
CAS Name: 1-[2-(benzenesulfonyl)ethyl]-4-methylpiperidine
IUPAC NAME: 1-[2-(benzenesulfonyl)ethyl]-4-methylpiperidine
SYSTEMATIC NAME: 4-methyl-1-[2-(phenylsulfonyl)ethyl]piperidine
MOLECULAR FORMULA: C14H21NO2S
MOLECULAR WEIGHT: 267.38704
SMILES: CC1CCN(CC1)CCS(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-(2-isopropylpyrazol-3-yl)-2-(4-methyl-1-piperidyl)propanamide
CAS Name: 2-(4-methyl-1-piperidinyl)-N-(2-propan-2-yl-3-pyrazolyl)propanamide
IUPAC NAME: 2-(4-methylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SYSTEMATIC NAME: 2-(4-methylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
MOLECULAR FORMULA: C15H26N4O
MOLECULAR WEIGHT: 278.39314
SMILES: CC1CCN(CC1)C(C)C(=O)NC2=CC=NN2C(C)C
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