Saturday, June 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: cyclopentyl-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CAS Name: cyclopentyl-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]methanone
IUPAC NAME: cyclopentyl-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: cyclopentyl-(4-piperidin-1-ylcarbonylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C16H27N3O2
MOLECULAR WEIGHT: 293.40448
SMILES: C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)C3CCCC3
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Product OPENEYE NAME: (E)-3-(4-chlorophenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one
CAS Name: (E)-3-(4-chlorophenyl)-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]-2-propen-1-one
IUPAC NAME: (E)-3-(4-chlorophenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-chlorophenyl)-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)prop-2-en-1-one
MOLECULAR FORMULA: C19H24ClN3O2
MOLECULAR WEIGHT: 361.86576
SMILES: C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (E)-3-(2-chlorophenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one
CAS Name: (E)-3-(2-chlorophenyl)-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]-2-propen-1-one
IUPAC NAME: (E)-3-(2-chlorophenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(2-chlorophenyl)-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)prop-2-en-1-one
MOLECULAR FORMULA: C19H24ClN3O2
MOLECULAR WEIGHT: 361.86576
SMILES: C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-(4-nitrophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]ethanone
IUPAC NAME: 2-(4-nitrophenyl)sulfanyl-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 2-(4-nitrophenyl)sulfanyl-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethanone
MOLECULAR FORMULA: C18H24N4O4S
MOLECULAR WEIGHT: 392.47256
SMILES: C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 4-methyl-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]pentan-1-one
CAS Name: 4-methyl-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]-1-pentanone
IUPAC NAME: 4-methyl-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]pentan-1-one
SYSTEMATIC NAME: 4-methyl-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)pentan-1-one
MOLECULAR FORMULA: C16H29N3O2
MOLECULAR WEIGHT: 295.42036
SMILES: CC(C)CCC(=O)N1CCN(CC1)C(=O)N2CCCCC2
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Product OPENEYE NAME: (3aS)-3a-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one
CAS Name: (3aS)-3a-[oxo-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]methyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one
IUPAC NAME: (3aS)-3a-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one
SYSTEMATIC NAME: (3aS)-3a-(4-piperidin-1-ylcarbonylpiperazin-1-yl)carbonyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one
MOLECULAR FORMULA: C21H26N4O3S
MOLECULAR WEIGHT: 414.52114
SMILES: C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)[C@@]34CCC(=O)N3C5=CC=CC=C5S4
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Product OPENEYE NAME: (3aR)-3a-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one
CAS Name: (3aR)-3a-[oxo-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]methyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one
IUPAC NAME: (3aR)-3a-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one
SYSTEMATIC NAME: (3aR)-3a-(4-piperidin-1-ylcarbonylpiperazin-1-yl)carbonyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one
MOLECULAR FORMULA: C21H26N4O3S
MOLECULAR WEIGHT: 414.52114
SMILES: C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)[C@]34CCC(=O)N3C5=CC=CC=C5S4
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Product OPENEYE NAME: (E)-3-[4-(dimethylamino)phenyl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one
CAS Name: (E)-3-[4-(dimethylamino)phenyl]-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]-2-propen-1-one
IUPAC NAME: (E)-3-[4-(dimethylamino)phenyl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-[4-(dimethylamino)phenyl]-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)prop-2-en-1-one
MOLECULAR FORMULA: C21H30N4O2
MOLECULAR WEIGHT: 370.4885
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C(=O)N3CCCCC3
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Product OPENEYE NAME: (2S)-2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CAS Name: (2S)-2-[2-oxo-2-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]ethyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: (2S)-2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: (2S)-2-[2-oxidanylidene-2-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C20H26N4O4
MOLECULAR WEIGHT: 386.44484
SMILES: C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3
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Product OPENEYE NAME: (2R)-2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CAS Name: (2R)-2-[2-oxo-2-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]ethyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: (2R)-2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: (2R)-2-[2-oxidanylidene-2-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C20H26N4O4
MOLECULAR WEIGHT: 386.44484
SMILES: C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)C[C@@H]3C(=O)NC4=CC=CC=C4O3
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Product OPENEYE NAME: 1-[4-(piperidine-1-carbonyl)piperazin-1-yl]-2-[5-(p-tolyl)tetrazol-2-yl]ethanone
CAS Name: 2-[5-(4-methylphenyl)-2-tetrazolyl]-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]ethanone
IUPAC NAME: 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethanone
MOLECULAR FORMULA: C20H27N7O2
MOLECULAR WEIGHT: 397.47408
SMILES: CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCN(CC3)C(=O)N4CCCCC4
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Product OPENEYE NAME: (2-hydroxy-3,5-diisopropyl-phenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CAS Name: [2-hydroxy-3,5-di(propan-2-yl)phenyl]-[4-(2-pyrazinyl)-1-piperazinyl]methanone
IUPAC NAME: [2-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SYSTEMATIC NAME: [2-oxidanyl-3,5-di(propan-2-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C21H28N4O2
MOLECULAR WEIGHT: 368.47262
SMILES: CC(C)C1=CC(=C(C(=C1)C(=O)N2CCN(CC2)C3=NC=CN=C3)O)C(C)C
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Product OPENEYE NAME: [2-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CAS Name: [2-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-[4-(2-pyrazinyl)-1-piperazinyl]methanone
IUPAC NAME: [2-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SYSTEMATIC NAME: [2-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C23H22N6OS
MOLECULAR WEIGHT: 430.52538
SMILES: C1CN(CCN1C2=NC=CN=C2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: 4-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CAS Name: 4-methyl-1-[4-(2-pyrazinyl)-1-piperazinyl]-1-pentanone
IUPAC NAME: 4-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
SYSTEMATIC NAME: 4-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
MOLECULAR FORMULA: C14H22N4O
MOLECULAR WEIGHT: 262.35068
SMILES: CC(C)CCC(=O)N1CCN(CC1)C2=NC=CN=C2
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Product OPENEYE NAME: (2S)-N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]tetrahydrofuran-2-carboxamide
CAS Name: (2S)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-oxolanecarboxamide
IUPAC NAME: (2S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]oxolane-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]oxolane-2-carboxamide
MOLECULAR FORMULA: C22H23N3O2
MOLECULAR WEIGHT: 361.43692
SMILES: C1C[C@H](OC1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4
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Product OPENEYE NAME: (2R)-N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]tetrahydrofuran-2-carboxamide
CAS Name: (2R)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-oxolanecarboxamide
IUPAC NAME: (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]oxolane-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]oxolane-2-carboxamide
MOLECULAR FORMULA: C22H23N3O2
MOLECULAR WEIGHT: 361.43692
SMILES: C1C[C@@H](OC1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CAS Name: 2-(2-oxo-1-pyrrolidinyl)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]acetamide
IUPAC NAME: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SYSTEMATIC NAME: 2-(2-oxidanylidenepyrrolidin-1-yl)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide
MOLECULAR FORMULA: C23H24N4O2
MOLECULAR WEIGHT: 388.46226
SMILES: C1CC(=O)N(C1)CC(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4
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Product OPENEYE NAME: (3S)-N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3-methyl-1-oxo-isochromane-3-carboxamide
CAS Name: (3S)-3-methyl-1-oxo-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide
IUPAC NAME: (3S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SYSTEMATIC NAME: (3S)-3-methyl-1-oxidanylidene-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4H-isochromene-3-carboxamide
MOLECULAR FORMULA: C28H25N3O3
MOLECULAR WEIGHT: 451.5164
SMILES: C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5
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Product OPENEYE NAME: (3R)-N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3-methyl-1-oxo-isochromane-3-carboxamide
CAS Name: (3R)-3-methyl-1-oxo-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide
IUPAC NAME: (3R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SYSTEMATIC NAME: (3R)-3-methyl-1-oxidanylidene-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4H-isochromene-3-carboxamide
MOLECULAR FORMULA: C28H25N3O3
MOLECULAR WEIGHT: 451.5164
SMILES: C[C@@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5
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Product OPENEYE NAME: N-[4-(benzofuran-2-yl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CAS Name: N-[4-(2-benzofuranyl)phenyl]-2-(2,4-dioxo-1-pyrimidinyl)acetamide
IUPAC NAME: N-[4-(1-benzofuran-2-yl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SYSTEMATIC NAME: N-[4-(1-benzofuran-2-yl)phenyl]-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanamide
MOLECULAR FORMULA: C20H15N3O4
MOLECULAR WEIGHT: 361.3508
SMILES: C1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)NC(=O)CN4C=CC(=O)NC4=O
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Product OPENEYE NAME: N-[4-(benzofuran-2-yl)phenyl]-2-methoxy-acetamide
CAS Name: N-[4-(2-benzofuranyl)phenyl]-2-methoxyacetamide
IUPAC NAME: N-[4-(1-benzofuran-2-yl)phenyl]-2-methoxyacetamide
SYSTEMATIC NAME: N-[4-(1-benzofuran-2-yl)phenyl]-2-methoxy-ethanamide
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: COCC(=O)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3O2
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Product OPENEYE NAME: N-[4-(benzofuran-2-yl)phenyl]-3-(methanesulfonamido)benzamide
CAS Name: N-[4-(2-benzofuranyl)phenyl]-3-(methanesulfonamido)benzamide
IUPAC NAME: N-[4-(1-benzofuran-2-yl)phenyl]-3-(methanesulfonamido)benzamide
SYSTEMATIC NAME: N-[4-(1-benzofuran-2-yl)phenyl]-3-(methylsulfonylamino)benzamide
MOLECULAR FORMULA: C22H18N2O4S
MOLECULAR WEIGHT: 406.45432
SMILES: CS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CC4=CC=CC=C4O3
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