Thursday, May 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-cyclopentyl-2-methyl-2-phenyl-propanamide
CAS Name: N-cyclopentyl-2-methyl-2-phenylpropanamide
IUPAC NAME: N-cyclopentyl-2-methyl-2-phenylpropanamide
SYSTEMATIC NAME: N-cyclopentyl-2-methyl-2-phenyl-propanamide
MOLECULAR FORMULA: C15H21NO
MOLECULAR WEIGHT: 231.33334
SMILES: CC(C)(C1=CC=CC=C1)C(=O)NC2CCCC2
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Product OPENEYE NAME: (3R)-N-(4,5-dihydrothiazol-2-yl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3R)-N-(4,5-dihydrothiazol-2-yl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C14H19N3O3S3
MOLECULAR WEIGHT: 373.51396
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=NCCS3
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Product OPENEYE NAME: (3S)-N-(4,5-dihydrothiazol-2-yl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3S)-N-(4,5-dihydrothiazol-2-yl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C14H19N3O3S3
MOLECULAR WEIGHT: 373.51396
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=NCCS3
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Product OPENEYE NAME: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-(4-isopropylphenyl)-2,5-dimethyl-pyrrole-3-carboxamide
CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolecarboxamide
IUPAC NAME: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide
SYSTEMATIC NAME: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide
MOLECULAR FORMULA: C27H30N4O2
MOLECULAR WEIGHT: 442.5527
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
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Product OPENEYE NAME: methyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)thiophene-2-carboxylate
CAS Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)thiophene-2-carboxylate
MOLECULAR FORMULA: C15H13NO5S
MOLECULAR WEIGHT: 319.33242
SMILES: COC(=O)C1=CC=C(S1)C(=O)NC2=CC3=C(C=C2)OCCO3
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Product OPENEYE NAME: N-[3-(dimethylsulfamoyl)phenyl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide
CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide
IUPAC NAME: N-[3-(dimethylsulfamoyl)phenyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
SYSTEMATIC NAME: N-[3-(dimethylsulfamoyl)phenyl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C19H26N4O5S2
MOLECULAR WEIGHT: 454.56354
SMILES: CN1C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C
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Product OPENEYE NAME: 1-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl]azepan-2-one
CAS Name: 1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-azepanone
IUPAC NAME: 1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azepan-2-one
SYSTEMATIC NAME: 1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]azepan-2-one
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: C[C@@H]1CC2=CC=CC=C2N1C(=O)CN3CCCCCC3=O
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Product OPENEYE NAME: 1-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]azepan-2-one
CAS Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-azepanone
IUPAC NAME: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azepan-2-one
SYSTEMATIC NAME: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]azepan-2-one
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)CN3CCCCCC3=O
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Product OPENEYE NAME: methyl 5-[(2S)-2-methylindoline-1-carbonyl]thiophene-2-carboxylate
CAS Name: 5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]-oxomethyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]carbonyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C16H15NO3S
MOLECULAR WEIGHT: 301.3602
SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)C3=CC=C(S3)C(=O)OC
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Product OPENEYE NAME: methyl 5-[(2R)-2-methylindoline-1-carbonyl]thiophene-2-carboxylate
CAS Name: 5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]-oxomethyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]carbonyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C16H15NO3S
MOLECULAR WEIGHT: 301.3602
SMILES: C[C@@H]1CC2=CC=CC=C2N1C(=O)C3=CC=C(S3)C(=O)OC
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Product OPENEYE NAME: [1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CAS Name: [2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone
IUPAC NAME: [2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SYSTEMATIC NAME: [2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C24H29N5O
MOLECULAR WEIGHT: 403.51996
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)N3CCN(CC3)C4=NC=CC=N4
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Product OPENEYE NAME: (3R)-N-[3-(benzimidazol-1-yl)propyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3R)-N-[3-(1-benzimidazolyl)propyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-N-[3-(benzimidazol-1-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[3-(benzimidazol-1-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C21H26N4O3S2
MOLECULAR WEIGHT: 446.58614
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCCCN3C=NC4=CC=CC=C43
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Product OPENEYE NAME: (3S)-N-[3-(benzimidazol-1-yl)propyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3S)-N-[3-(1-benzimidazolyl)propyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-N-[3-(benzimidazol-1-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[3-(benzimidazol-1-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C21H26N4O3S2
MOLECULAR WEIGHT: 446.58614
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCCN3C=NC4=CC=CC=C43
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Product OPENEYE NAME: N-benzyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide
CAS Name: 1-[[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide
IUPAC NAME: N-benzyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[3-(2,2-dimethylpropanoylamino)phenyl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C25H31N3O3
MOLECULAR WEIGHT: 421.53194
SMILES: CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: methyl 5-[[4-(2-methylthiazol-4-yl)phenyl]methylcarbamoyl]thiophene-2-carboxylate
CAS Name: 5-[[[4-(2-methyl-4-thiazolyl)phenyl]methylamino]-oxomethyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamoyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamoyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C18H16N2O3S2
MOLECULAR WEIGHT: 372.46124
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(S3)C(=O)OC
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Product OPENEYE NAME: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CAS Name: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-[(2,2-dimethyl-1-oxopropyl)amino]benzamide
IUPAC NAME: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
SYSTEMATIC NAME: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
MOLECULAR FORMULA: C21H24N4O2
MOLECULAR WEIGHT: 364.44086
SMILES: C[C@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)NC(=O)C(C)(C)C
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[(2,2-dimethyl-1-oxopropyl)amino]benzamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
MOLECULAR FORMULA: C21H24N4O2
MOLECULAR WEIGHT: 364.44086
SMILES: C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)NC(=O)C(C)(C)C
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Product OPENEYE NAME: N-(cyclohexylmethyl)-1,3,5-trimethyl-pyrazole-4-carboxamide
CAS Name: N-(cyclohexylmethyl)-1,3,5-trimethyl-4-pyrazolecarboxamide
IUPAC NAME: N-(cyclohexylmethyl)-1,3,5-trimethylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-1,3,5-trimethyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C14H23N3O
MOLECULAR WEIGHT: 249.35192
SMILES: CC1=C(C(=NN1C)C)C(=O)NCC2CCCCC2
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Product OPENEYE NAME: methyl 5-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CAS Name: 5-[[4-(1H-benzimidazol-2-yl)anilino]-oxomethyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C20H15N3O3S
MOLECULAR WEIGHT: 377.4164
SMILES: COC(=O)C1=CC=C(S1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3
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