Thursday, June 20, 2013

All Chemical Compounds Information




Product OPENEYE NAME: tert-butyl N-[3-[(5-phenyloxazol-2-yl)methylcarbamoyl]phenyl]carbamate
CAS Name: N-[3-[oxo-[(5-phenyl-2-oxazolyl)methylamino]methyl]phenyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[3-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[3-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]carbamate
MOLECULAR FORMULA: C22H23N3O4
MOLECULAR WEIGHT: 393.43572
SMILES: CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCC2=NC=C(O2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[(4-fluorophenyl)sulfonylamino]-N-[(5-phenyloxazol-2-yl)methyl]benzamide
CAS Name: 4-[(4-fluorophenyl)sulfonylamino]-N-[(5-phenyl-2-oxazolyl)methyl]benzamide
IUPAC NAME: 4-[(4-fluorophenyl)sulfonylamino]-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
SYSTEMATIC NAME: 4-[(4-fluorophenyl)sulfonylamino]-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
MOLECULAR FORMULA: C23H18FN3O4S
MOLECULAR WEIGHT: 451.470123
SMILES: C1=CC=C(C=C1)C2=CN=C(O2)CNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: N-(4-chlorophenyl)-4-[3-(furan-2-carbonylamino)propanoyl]piperazine-1-carboxamide
CAS Name: N-(4-chlorophenyl)-4-[3-[[2-furanyl(oxo)methyl]amino]-1-oxopropyl]-1-piperazinecarboxamide
IUPAC NAME: N-(4-chlorophenyl)-4-[3-(furan-2-carbonylamino)propanoyl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-4-[3-(furan-2-ylcarbonylamino)propanoyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C19H21ClN4O4
MOLECULAR WEIGHT: 404.84744
SMILES: C1CN(CCN1C(=O)CCNC(=O)C2=CC=CO2)C(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide
CAS Name: 4-(methylamino)-3-nitro-N-[3-(4-phenyl-1-piperazin-1-iumyl)propyl]benzamide
IUPAC NAME: 4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide
SYSTEMATIC NAME: 4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide
MOLECULAR FORMULA: C21H28N5O3+
MOLECULAR WEIGHT: 398.47872
SMILES: CNC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CAS Name: 4-(methylamino)-3-nitro-N-[3-(4-phenyl-1-piperazinyl)propyl]benzamide
IUPAC NAME: 4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SYSTEMATIC NAME: 4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
MOLECULAR FORMULA: C21H27N5O3
MOLECULAR WEIGHT: 397.47078
SMILES: CNC1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-(3-chlorophenyl)-4-[3-[[(2S)-tetrahydrofuran-2-yl]methoxy]benzoyl]piperazine-1-carboxamide
CAS Name: N-(3-chlorophenyl)-4-[oxo-[3-[[(2S)-2-oxolanyl]methoxy]phenyl]methyl]-1-piperazinecarboxamide
IUPAC NAME: N-(3-chlorophenyl)-4-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbonyl-piperazine-1-carboxamide
MOLECULAR FORMULA: C23H26ClN3O4
MOLECULAR WEIGHT: 443.92324
SMILES: C1C[C@H](OC1)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: N-(3-chlorophenyl)-4-[3-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoyl]piperazine-1-carboxamide
CAS Name: N-(3-chlorophenyl)-4-[oxo-[3-[[(2R)-2-oxolanyl]methoxy]phenyl]methyl]-1-piperazinecarboxamide
IUPAC NAME: N-(3-chlorophenyl)-4-[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbonyl-piperazine-1-carboxamide
MOLECULAR FORMULA: C23H26ClN3O4
MOLECULAR WEIGHT: 443.92324
SMILES: C1C[C@@H](OC1)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: N-(3-chlorophenyl)-4-[2-(2-oxo-3-propyl-benzimidazol-1-yl)acetyl]piperazine-1-carboxamide
CAS Name: N-(3-chlorophenyl)-4-[1-oxo-2-(2-oxo-3-propyl-1-benzimidazolyl)ethyl]-1-piperazinecarboxamide
IUPAC NAME: N-(3-chlorophenyl)-4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-[2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C23H26ClN5O3
MOLECULAR WEIGHT: 455.93724
SMILES: CCCN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 1-(3-methyl-4-nitro-benzoyl)-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[(3-methyl-4-nitrophenyl)-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(3-methyl-4-nitrobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(3-methyl-4-nitro-phenyl)carbonyl-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C21H24N4O4
MOLECULAR WEIGHT: 396.43966
SMILES: CC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=N3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[2-(4-chlorophenoxy)acetyl]-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[2-(4-chlorophenoxy)-1-oxoethyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-(4-chlorophenoxy)acetyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2-(4-chloranylphenoxy)ethanoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C21H24ClN3O3
MOLECULAR WEIGHT: 401.88656
SMILES: C1CN(CCC1C(=O)NCCC2=CC=CC=N2)C(=O)COC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-(4-methoxy-3-nitro-benzoyl)-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[(4-methoxy-3-nitrophenyl)-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(4-methoxy-3-nitrobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(4-methoxy-3-nitro-phenyl)carbonyl-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C21H24N4O5
MOLECULAR WEIGHT: 412.43906
SMILES: COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=N3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[(2R)-2-[(2-chlorobenzoyl)amino]-3-methyl-butanoyl]-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[(2R)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[(2R)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C25H31ClN4O3
MOLECULAR WEIGHT: 470.99164
SMILES: CC(C)[C@H](C(=O)N1CCC(CC1)C(=O)NCCC2=CC=CC=N2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 1-[(2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butanoyl]-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[(2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C25H31ClN4O3
MOLECULAR WEIGHT: 470.99164
SMILES: CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)NCCC2=CC=CC=N2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 1-(2-methoxy-5-nitro-benzoyl)-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[(2-methoxy-5-nitrophenyl)-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(2-methoxy-5-nitrobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(2-methoxy-5-nitro-phenyl)carbonyl-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C21H24N4O5
MOLECULAR WEIGHT: 412.43906
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=N3
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Product OPENEYE NAME: 1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[3-[5,7-dimethyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-oxopropyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C24H31N7O2S
MOLECULAR WEIGHT: 481.61364
SMILES: CC1=C(C(=NC2=NC(=NN12)SC)C)CCC(=O)N3CCC(CC3)C(=O)NCCC4=CC=CC=N4
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Product OPENEYE NAME: 1-(3-benzyl-4-oxo-phthalazine-1-carbonyl)-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonyl-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C29H29N5O3
MOLECULAR WEIGHT: 495.57226
SMILES: C1CN(CCC1C(=O)NCCC2=CC=CC=N2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5
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Product OPENEYE NAME: 1-(4-nitrobenzoyl)-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[(4-nitrophenyl)-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(4-nitrobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(4-nitrophenyl)carbonyl-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C20H22N4O4
MOLECULAR WEIGHT: 382.41308
SMILES: C1CN(CCC1C(=O)NCCC2=CC=CC=N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[4-(methylamino)-3-nitro-benzoyl]-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[4-(methylamino)-3-nitrobenzoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[4-(methylamino)-3-nitro-phenyl]carbonyl-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C21H25N5O4
MOLECULAR WEIGHT: 411.4543
SMILES: CNC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=N3)[N+](=O)[O-]
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