Tuesday, January 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-allyl-4-(2-pyridyl)piperazine
CAS Name: 1-prop-2-enyl-4-(2-pyridinyl)piperazine
IUPAC NAME: 1-prop-2-enyl-4-pyridin-2-ylpiperazine
SYSTEMATIC NAME: 1-prop-2-enyl-4-pyridin-2-yl-piperazine
MOLECULAR FORMULA: C12H17N3
MOLECULAR WEIGHT: 203.28348
SMILES: C=CCN1CCN(CC1)C2=CC=CC=N2
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Product OPENEYE NAME: 1-allyl-4-(3-methoxyphenyl)piperazine
CAS Name: 1-(3-methoxyphenyl)-4-prop-2-enylpiperazine
IUPAC NAME: 1-(3-methoxyphenyl)-4-prop-2-enylpiperazine
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-4-prop-2-enyl-piperazine
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: COC1=CC=CC(=C1)N2CCN(CC2)CC=C
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Product OPENEYE NAME: 9-methyl-2-[[3-(trifluoromethyl)-1-piperidyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CAS Name: 9-methyl-2-[[3-(trifluoromethyl)-1-piperidinyl]methyl]-4-pyrido[1,2-a]pyrimidinone
IUPAC NAME: 9-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 9-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C16H18F3N3O
MOLECULAR WEIGHT: 325.32883
SMILES: CC1=CC=CN2C1=NC(=CC2=O)CN3CCCC(C3)C(F)(F)F
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Product OPENEYE NAME: 2-[[1-(4-ethylphenyl)ethylamino]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one
CAS Name: 2-[[1-(4-ethylphenyl)ethylamino]methyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone
IUPAC NAME: 2-[[1-(4-ethylphenyl)ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 2-[[1-(4-ethylphenyl)ethylamino]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C20H23N3O
MOLECULAR WEIGHT: 321.41612
SMILES: CCC1=CC=C(C=C1)C(C)NCC2=CC(=O)N3C=CC=C(C3=N2)C
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Product OPENEYE NAME: 2-[[1-(2-fluorophenyl)ethylamino]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one
CAS Name: 2-[[1-(2-fluorophenyl)ethylamino]methyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone
IUPAC NAME: 2-[[1-(2-fluorophenyl)ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 2-[[1-(2-fluorophenyl)ethylamino]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C18H18FN3O
MOLECULAR WEIGHT: 311.353423
SMILES: CC1=CC=CN2C1=NC(=CC2=O)CNC(C)C3=CC=CC=C3F
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Product OPENEYE NAME: 4-chloro-2-phenyl-5-(4-prop-2-ynylpiperazin-1-yl)pyridazin-3-one
CAS Name: 4-chloro-2-phenyl-5-(4-prop-2-ynyl-1-piperazinyl)-3-pyridazinone
IUPAC NAME: 4-chloro-2-phenyl-5-(4-prop-2-ynylpiperazin-1-yl)pyridazin-3-one
SYSTEMATIC NAME: 4-chloranyl-2-phenyl-5-(4-prop-2-ynylpiperazin-1-yl)pyridazin-3-one
MOLECULAR FORMULA: C17H17ClN4O
MOLECULAR WEIGHT: 328.79608
SMILES: C#CCN1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl
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Product OPENEYE NAME: N,N-dimethyl-1-[(9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
CAS Name: N,N-dimethyl-1-[(9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-4-piperidinecarboxamide
IUPAC NAME: N,N-dimethyl-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
SYSTEMATIC NAME: N,N-dimethyl-1-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C18H24N4O2
MOLECULAR WEIGHT: 328.40876
SMILES: CC1=CC=CN2C1=NC(=CC2=O)CN3CCC(CC3)C(=O)N(C)C
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Product OPENEYE NAME: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(1,1-dioxo-3-thiolanyl)acetamide
IUPAC NAME: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide
MOLECULAR FORMULA: C15H20N2O3S2
MOLECULAR WEIGHT: 340.4609
SMILES: C1CN(C2=CC=CC=C2SC1)CC(=O)NC3CCS(=O)(=O)C3
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Product OPENEYE NAME: N-(methylcarbamoyl)-2-[(1-morpholinocyclohexyl)methylamino]propanamide
CAS Name: N-(methylcarbamoyl)-2-[[1-(4-morpholinyl)cyclohexyl]methylamino]propanamide
IUPAC NAME: N-(methylcarbamoyl)-2-[(1-morpholin-4-ylcyclohexyl)methylamino]propanamide
SYSTEMATIC NAME: N-(methylcarbamoyl)-2-[(1-morpholin-4-ylcyclohexyl)methylamino]propanamide
MOLECULAR FORMULA: C16H30N4O3
MOLECULAR WEIGHT: 326.4344
SMILES: CC(C(=O)NC(=O)NC)NCC1(CCCCC1)N2CCOCC2
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Product OPENEYE NAME: N-(3-methoxypropyl)-2-[4-(o-tolylmethyl)piperazin-1-yl]acetamide
CAS Name: N-(3-methoxypropyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(3-methoxypropyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(3-methoxypropyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C18H29N3O2
MOLECULAR WEIGHT: 319.44176
SMILES: CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NCCCOC
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Product OPENEYE NAME: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]propanamide
CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]propanamide
IUPAC NAME: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]propanamide
MOLECULAR FORMULA: C14H19ClFN3O
MOLECULAR WEIGHT: 299.771563
SMILES: CC(C(=O)N)N1CCN(CC1)CC2=C(C=CC=C2Cl)F
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Product OPENEYE NAME: 1-[2-(4-chlorophenoxy)ethyl]-4-prop-2-ynyl-piperazine
CAS Name: 1-[2-(4-chlorophenoxy)ethyl]-4-prop-2-ynylpiperazine
IUPAC NAME: 1-[2-(4-chlorophenoxy)ethyl]-4-prop-2-ynylpiperazine
SYSTEMATIC NAME: 1-[2-(4-chloranylphenoxy)ethyl]-4-prop-2-ynyl-piperazine
MOLECULAR FORMULA: C15H19ClN2O
MOLECULAR WEIGHT: 278.77716
SMILES: C#CCN1CCN(CC1)CCOC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-allyl-4-[2-(4-chlorophenoxy)ethyl]piperazine
CAS Name: 1-[2-(4-chlorophenoxy)ethyl]-4-prop-2-enylpiperazine
IUPAC NAME: 1-[2-(4-chlorophenoxy)ethyl]-4-prop-2-enylpiperazine
SYSTEMATIC NAME: 1-[2-(4-chloranylphenoxy)ethyl]-4-prop-2-enyl-piperazine
MOLECULAR FORMULA: C15H21ClN2O
MOLECULAR WEIGHT: 280.79304
SMILES: C=CCN1CCN(CC1)CCOC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[methyl(tetralin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CAS Name: 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
IUPAC NAME: 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SYSTEMATIC NAME: 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide
MOLECULAR FORMULA: C15H19F3N2O
MOLECULAR WEIGHT: 300.31937
SMILES: CN(CC(=O)NCC(F)(F)F)C1CCCC2=CC=CC=C12
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Product OPENEYE NAME: N-cyclopropyl-2-[methyl(tetralin-1-yl)amino]acetamide
CAS Name: N-cyclopropyl-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
IUPAC NAME: N-cyclopropyl-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
SYSTEMATIC NAME: N-cyclopropyl-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanamide
MOLECULAR FORMULA: C16H22N2O
MOLECULAR WEIGHT: 258.35868
SMILES: CN(CC(=O)NC1CC1)C2CCCC3=CC=CC=C23
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Product OPENEYE NAME: N-(1-cyanocyclopentyl)-2-[4-(difluoromethylsulfanyl)anilino]acetamide
CAS Name: N-(1-cyanocyclopentyl)-2-[4-(difluoromethylthio)anilino]acetamide
IUPAC NAME: N-(1-cyanocyclopentyl)-2-[4-(difluoromethylsulfanyl)anilino]acetamide
SYSTEMATIC NAME: 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-N-(1-cyanocyclopentyl)ethanamide
MOLECULAR FORMULA: C15H17F2N3OS
MOLECULAR WEIGHT: 325.376786
SMILES: C1CCC(C1)(C#N)NC(=O)CNC2=CC=C(C=C2)SC(F)F
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Product OPENEYE NAME: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-(difluoromethylsulfanyl)anilino]acetamide
CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-(difluoromethylthio)anilino]acetamide
IUPAC NAME: N-(2-cyano-3-methylbutan-2-yl)-2-[4-(difluoromethylsulfanyl)anilino]acetamide
SYSTEMATIC NAME: 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-N-(2-cyano-3-methyl-butan-2-yl)ethanamide
MOLECULAR FORMULA: C15H19F2N3OS
MOLECULAR WEIGHT: 327.392666
SMILES: CC(C)C(C)(C#N)NC(=O)CNC1=CC=C(C=C1)SC(F)F
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Product OPENEYE NAME: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1,1-dioxo-3-thiolanyl)acetamide
IUPAC NAME: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethanamide
MOLECULAR FORMULA: C14H18N2O5S
MOLECULAR WEIGHT: 326.36812
SMILES: C1CS(=O)(=O)CC1NC(=O)CNC2=CC3=C(C=C2)OCCO3
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