Monday, January 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 7-chloro-2-[[1-(2-chlorophenyl)ethylamino]methyl]-1H-quinazolin-4-one
CAS Name: 7-chloro-2-[[1-(2-chlorophenyl)ethylamino]methyl]-1H-quinazolin-4-one
IUPAC NAME: 7-chloro-2-[[1-(2-chlorophenyl)ethylamino]methyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 7-chloranyl-2-[[1-(2-chlorophenyl)ethylamino]methyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C17H15Cl2N3O
MOLECULAR WEIGHT: 348.2265
SMILES: CC(C1=CC=CC=C1Cl)NCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl
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Product OPENEYE NAME: 7-[[1-(2-chlorophenyl)ethylamino]methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[[1-(2-chlorophenyl)ethylamino]methyl]-3-methyl-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[[1-(2-chlorophenyl)ethylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[[1-(2-chlorophenyl)ethylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C16H16ClN3OS
MOLECULAR WEIGHT: 333.83574
SMILES: CC1=CSC2=NC(=CC(=O)N12)CNC(C)C3=CC=CC=C3Cl
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Product OPENEYE NAME: N-(cyclopentylcarbamoyl)-2-[2-furylmethyl(methyl)amino]acetamide
CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[2-furanylmethyl(methyl)amino]acetamide
IUPAC NAME: N-(cyclopentylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
SYSTEMATIC NAME: N-(cyclopentylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]ethanamide
MOLECULAR FORMULA: C14H21N3O3
MOLECULAR WEIGHT: 279.33484
SMILES: CN(CC1=CC=CO1)CC(=O)NC(=O)NC2CCCC2
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Product OPENEYE NAME: 1-(2-furyl)-N-methyl-N-[(5-phenyloxazol-2-yl)methyl]methanamine
CAS Name: 1-(2-furanyl)-N-methyl-N-[(5-phenyl-2-oxazolyl)methyl]methanamine
IUPAC NAME: 1-(furan-2-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
SYSTEMATIC NAME: 1-(furan-2-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: CN(CC1=CC=CO1)CC2=NC=C(O2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[[benzyl(2-furylmethyl)amino]methyl]-1H-quinazolin-4-one
CAS Name: 2-[[2-furanylmethyl-(phenylmethyl)amino]methyl]-1H-quinazolin-4-one
IUPAC NAME: 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[[furan-2-ylmethyl-(phenylmethyl)amino]methyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C21H19N3O2
MOLECULAR WEIGHT: 345.39446
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CO2)CC3=NC(=O)C4=CC=CC=C4N3
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Product OPENEYE NAME: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]propanamide
CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]propanamide
IUPAC NAME: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide
SYSTEMATIC NAME: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide
MOLECULAR FORMULA: C15H19N3OS
MOLECULAR WEIGHT: 289.39586
SMILES: CC(C(=O)N)N1CCC(CC1)C2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: 2-[1-(2-methylsulfonylethyl)-4-piperidyl]-1,3-benzothiazole
CAS Name: 2-[1-(2-methylsulfonylethyl)-4-piperidinyl]-1,3-benzothiazole
IUPAC NAME: 2-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,3-benzothiazole
MOLECULAR FORMULA: C15H20N2O2S2
MOLECULAR WEIGHT: 324.4615
SMILES: CS(=O)(=O)CCN1CCC(CC1)C2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetamide
CAS Name: N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetamide
IUPAC NAME: N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetamide
SYSTEMATIC NAME: N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanamide
MOLECULAR FORMULA: C18H23N3O3
MOLECULAR WEIGHT: 329.39352
SMILES: CN(CC1=CC2=C(C=C1)OCCO2)CC(=O)NC3(CCCC3)C#N
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Product OPENEYE NAME: 2-[1-(4-hydroxy-1-piperidyl)ethyl]-1H-quinazolin-4-one
CAS Name: 2-[1-(4-hydroxy-1-piperidinyl)ethyl]-1H-quinazolin-4-one
IUPAC NAME: 2-[1-(4-hydroxypiperidin-1-yl)ethyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[1-(4-oxidanylpiperidin-1-yl)ethyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C15H19N3O2
MOLECULAR WEIGHT: 273.33026
SMILES: CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCC(CC3)O
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Product OPENEYE NAME: N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-hydroxy-1-piperidyl)acetamide
CAS Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-hydroxy-1-piperidinyl)acetamide
IUPAC NAME: N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
SYSTEMATIC NAME: N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-oxidanylpiperidin-1-yl)ethanamide
MOLECULAR FORMULA: C17H26N2O2
MOLECULAR WEIGHT: 290.40054
SMILES: CC1=C(C=C(C=C1)C(C)NC(=O)CN2CCC(CC2)O)C
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Product OPENEYE NAME: N-cyclooctyl-2-(4-hydroxy-1-piperidyl)acetamide
CAS Name: N-cyclooctyl-2-(4-hydroxy-1-piperidinyl)acetamide
IUPAC NAME: N-cyclooctyl-2-(4-hydroxypiperidin-1-yl)acetamide
SYSTEMATIC NAME: N-cyclooctyl-2-(4-oxidanylpiperidin-1-yl)ethanamide
MOLECULAR FORMULA: C15H28N2O2
MOLECULAR WEIGHT: 268.39502
SMILES: C1CCCC(CCC1)NC(=O)CN2CCC(CC2)O
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Product OPENEYE NAME: N-(2-benzoylphenyl)-2-(4-hydroxy-1-piperidyl)acetamide
CAS Name: N-(2-benzoylphenyl)-2-(4-hydroxy-1-piperidinyl)acetamide
IUPAC NAME: N-(2-benzoylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
SYSTEMATIC NAME: 2-(4-oxidanylpiperidin-1-yl)-N-[2-(phenylcarbonyl)phenyl]ethanamide
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: C1CN(CCC1O)CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 2-[[2-(4-hydroxy-1-piperidyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS Name: 2-[[2-(4-hydroxy-1-piperidinyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[2-(4-oxidanylpiperidin-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C16H22N2O4S
MOLECULAR WEIGHT: 338.42188
SMILES: COC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3CCC(CC3)O
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Product OPENEYE NAME: N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2-fluorophenyl)ethanamine
CAS Name: N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2-fluorophenyl)ethanamine
IUPAC NAME: N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2-fluorophenyl)ethanamine
SYSTEMATIC NAME: N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2-fluorophenyl)ethanamine
MOLECULAR FORMULA: C17H15ClFN3O
MOLECULAR WEIGHT: 331.771903
SMILES: CC(C1=CC=CC=C1F)NCC2=NN=C(O2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-(1,1-dioxothiolan-3-yl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
IUPAC NAME: N-(1,1-dioxothiolan-3-yl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[1-(2-fluorophenyl)ethylamino]ethanamide
MOLECULAR FORMULA: C14H19FN2O3S
MOLECULAR WEIGHT: 314.375663
SMILES: CC(C1=CC=CC=C1F)NCC(=O)NC2CCS(=O)(=O)C2
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Product OPENEYE NAME: 2-[1-[1-(2-fluorophenyl)ethylamino]ethyl]-1H-quinazolin-4-one
CAS Name: 2-[1-[1-(2-fluorophenyl)ethylamino]ethyl]-1H-quinazolin-4-one
IUPAC NAME: 2-[1-[1-(2-fluorophenyl)ethylamino]ethyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[1-[1-(2-fluorophenyl)ethylamino]ethyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C18H18FN3O
MOLECULAR WEIGHT: 311.353423
SMILES: CC(C1=CC=CC=C1F)NC(C)C2=NC(=O)C3=CC=CC=C3N2
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Product OPENEYE NAME: 7-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CAS Name: 7-methyl-2-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-4-pyrido[1,2-a]pyrimidinone
IUPAC NAME: 7-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 7-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C18H24N4O2
MOLECULAR WEIGHT: 328.40876
SMILES: CC1=CN2C(=NC(=CC2=O)CN3CCN(CC3)C(=O)C(C)C)C=C1
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Product OPENEYE NAME: N-carbamoyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CAS Name: N-carbamoyl-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]propanamide
IUPAC NAME: N-carbamoyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SYSTEMATIC NAME: N-aminocarbonyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C12H22N4O3
MOLECULAR WEIGHT: 270.32808
SMILES: CC(C)C(=O)N1CCN(CC1)C(C)C(=O)NC(=O)N
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Product OPENEYE NAME: 2-methyl-1-[4-(p-tolylmethyl)piperazin-1-yl]propan-1-one
CAS Name: 2-methyl-1-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-1-propanone
IUPAC NAME: 2-methyl-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: 2-methyl-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C16H24N2O
MOLECULAR WEIGHT: 260.37456
SMILES: CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C(C)C
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