Tuesday, January 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-ethyl-N-methoxy-N-methyl-benzotriazole-5-carboxamide
CAS Name: 1-ethyl-N-methoxy-N-methyl-5-benzotriazolecarboxamide
IUPAC NAME: 1-ethyl-N-methoxy-N-methylbenzotriazole-5-carboxamide
SYSTEMATIC NAME: 1-ethyl-N-methoxy-N-methyl-benzotriazole-5-carboxamide
MOLECULAR FORMULA: C11H14N4O2
MOLECULAR WEIGHT: 234.25446
SMILES: CCN1C2=C(C=C(C=C2)C(=O)N(C)OC)N=N1
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Product OPENEYE NAME: 4-oxo-N-[4-(pyrrolidin-1-ylmethyl)thiazol-2-yl]-4-(2-thienyl)butanamide
CAS Name: 4-oxo-N-[4-(1-pyrrolidinylmethyl)-2-thiazolyl]-4-thiophen-2-ylbutanamide
IUPAC NAME: 4-oxo-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
SYSTEMATIC NAME: 4-oxidanylidene-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-butanamide
MOLECULAR FORMULA: C16H19N3O2S2
MOLECULAR WEIGHT: 349.47096
SMILES: C1CCN(C1)CC2=CSC(=N2)NC(=O)CCC(=O)C3=CC=CS3
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Product OPENEYE NAME: N-tert-butyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CAS Name: N-tert-butyl-5-[(methylthio)methyl]-2-furancarboxamide
IUPAC NAME: N-tert-butyl-5-(methylsulfanylmethyl)furan-2-carboxamide
SYSTEMATIC NAME: N-tert-butyl-5-(methylsulfanylmethyl)furan-2-carboxamide
MOLECULAR FORMULA: C11H17NO2S
MOLECULAR WEIGHT: 227.32318
SMILES: CC(C)(C)NC(=O)C1=CC=C(O1)CSC
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Product OPENEYE NAME: N-[2-[methoxy(methyl)amino]-1-methyl-2-oxo-ethyl]benzamide
CAS Name: N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]benzamide
IUPAC NAME: N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: N-[1-[methoxy(methyl)amino]-1-oxidanylidene-propan-2-yl]benzamide
MOLECULAR FORMULA: C12H16N2O3
MOLECULAR WEIGHT: 236.26704
SMILES: CC(C(=O)N(C)OC)NC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 1-[2-(2-chlorophenoxy)ethyl]-4-methyl-piperazine
CAS Name: 1-[2-(2-chlorophenoxy)ethyl]-4-methylpiperazine
IUPAC NAME: 1-[2-(2-chlorophenoxy)ethyl]-4-methylpiperazine
SYSTEMATIC NAME: 1-[2-(2-chloranylphenoxy)ethyl]-4-methyl-piperazine
MOLECULAR FORMULA: C13H19ClN2O
MOLECULAR WEIGHT: 254.75576
SMILES: CN1CCN(CC1)CCOC2=CC=CC=C2Cl
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Product OPENEYE NAME: 1-[2-(4-chlorophenoxy)ethyl]-4-methyl-piperazine
CAS Name: 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperazine
IUPAC NAME: 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperazine
SYSTEMATIC NAME: 1-[2-(4-chloranylphenoxy)ethyl]-4-methyl-piperazine
MOLECULAR FORMULA: C13H19ClN2O
MOLECULAR WEIGHT: 254.75576
SMILES: CN1CCN(CC1)CCOC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-[2-(4-fluorophenoxy)ethyl]-4-methyl-piperazine
CAS Name: 1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperazine
IUPAC NAME: 1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperazine
SYSTEMATIC NAME: 1-[2-(4-fluoranylphenoxy)ethyl]-4-methyl-piperazine
MOLECULAR FORMULA: C13H19FN2O
MOLECULAR WEIGHT: 238.301163
SMILES: CN1CCN(CC1)CCOC2=CC=C(C=C2)F
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Product OPENEYE NAME: 2,6-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]morpholine
CAS Name: 2,6-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]morpholine
IUPAC NAME: 2,6-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]morpholine
SYSTEMATIC NAME: 2,6-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]morpholine
MOLECULAR FORMULA: C15H20N2O5
MOLECULAR WEIGHT: 308.3297
SMILES: CC1CN(CC(O1)C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3
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Product OPENEYE NAME: 2,6-dimethyl-4-(tetrahydropyran-2-ylmethyl)morpholine
CAS Name: 2,6-dimethyl-4-(2-oxanylmethyl)morpholine
IUPAC NAME: 2,6-dimethyl-4-(oxan-2-ylmethyl)morpholine
SYSTEMATIC NAME: 2,6-dimethyl-4-(oxan-2-ylmethyl)morpholine
MOLECULAR FORMULA: C12H23NO2
MOLECULAR WEIGHT: 213.31652
SMILES: CC1CN(CC(O1)C)CC2CCCCO2
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Product OPENEYE NAME: 1-ethyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CAS Name: 1-ethyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
IUPAC NAME: 1-ethyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-ethyl-4-[2-(2-fluoranylphenoxy)ethyl]piperazine
MOLECULAR FORMULA: C14H21FN2O
MOLECULAR WEIGHT: 252.327743
SMILES: CCN1CCN(CC1)CCOC2=CC=CC=C2F
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Product OPENEYE NAME: 1-[2-(2-chlorophenoxy)ethyl]-4-ethyl-piperazine
CAS Name: 1-[2-(2-chlorophenoxy)ethyl]-4-ethylpiperazine
IUPAC NAME: 1-[2-(2-chlorophenoxy)ethyl]-4-ethylpiperazine
SYSTEMATIC NAME: 1-[2-(2-chloranylphenoxy)ethyl]-4-ethyl-piperazine
MOLECULAR FORMULA: C14H21ClN2O
MOLECULAR WEIGHT: 268.78234
SMILES: CCN1CCN(CC1)CCOC2=CC=CC=C2Cl
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Product OPENEYE NAME: 1-[2-(3-chlorophenoxy)ethyl]-4-ethyl-piperazine
CAS Name: 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperazine
IUPAC NAME: 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperazine
SYSTEMATIC NAME: 1-[2-(3-chloranylphenoxy)ethyl]-4-ethyl-piperazine
MOLECULAR FORMULA: C14H21ClN2O
MOLECULAR WEIGHT: 268.78234
SMILES: CCN1CCN(CC1)CCOC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 1-ethyl-4-(2-phenoxyethyl)piperazine
CAS Name: 1-ethyl-4-(2-phenoxyethyl)piperazine
IUPAC NAME: 1-ethyl-4-(2-phenoxyethyl)piperazine
SYSTEMATIC NAME: 1-ethyl-4-(2-phenoxyethyl)piperazine
MOLECULAR FORMULA: C14H22N2O
MOLECULAR WEIGHT: 234.33728
SMILES: CCN1CCN(CC1)CCOC2=CC=CC=C2
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Product OPENEYE NAME: N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methyl-cyclohexanamine
CAS Name: N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-methylcyclohexanamine
IUPAC NAME: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexanamine
SYSTEMATIC NAME: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-cyclohexanamine
MOLECULAR FORMULA: C13H22N2O
MOLECULAR WEIGHT: 222.32658
SMILES: CC1=C(C(=NO1)C)CN(C)C2CCCCC2
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Product OPENEYE NAME: N-tert-butyl-2-(N-methylanilino)acetamide
CAS Name: N-tert-butyl-2-(N-methylanilino)acetamide
IUPAC NAME: N-tert-butyl-2-(N-methylanilino)acetamide
SYSTEMATIC NAME: N-tert-butyl-2-[methyl(phenyl)amino]ethanamide
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: CC(C)(C)NC(=O)CN(C)C1=CC=CC=C1
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Product OPENEYE NAME: ethyl 1-[(3,5-dimethylisoxazol-4-yl)methyl]piperidine-4-carboxylate
CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C14H22N2O3
MOLECULAR WEIGHT: 266.33608
SMILES: CCOC(=O)C1CCN(CC1)CC2=C(ON=C2C)C
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Product OPENEYE NAME: ethyl 1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H25NO4
MOLECULAR WEIGHT: 307.3847
SMILES: CCOC(=O)C1CCN(CC1)CCOC2=CC=C(C=C2)OC
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Product OPENEYE NAME: ethyl 1-(2-amino-1-methyl-2-oxo-ethyl)piperidine-4-carboxylate
CAS Name: 1-(1-amino-1-oxopropan-2-yl)-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(1-amino-1-oxopropan-2-yl)piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(1-azanyl-1-oxidanylidene-propan-2-yl)piperidine-4-carboxylate
MOLECULAR FORMULA: C11H20N2O3
MOLECULAR WEIGHT: 228.2881
SMILES: CCOC(=O)C1CCN(CC1)C(C)C(=O)N
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Product OPENEYE NAME: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperazine-1-carboxylate
CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C18H25N3O3
MOLECULAR WEIGHT: 331.4094
SMILES: CCOC(=O)N1CCN(CC1)CC(=O)N2CCC3=CC=CC=C3C2
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