Monday, January 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethyl (2E)-2-[(5E)-3-[(2-chloro-4-fluoro-phenyl)methyl]-5-[(4-cyanophenyl)methylene]-4-oxo-thiazolidin-2-ylidene]acetate
CAS Name: (2E)-2-[(5E)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(4-cyanophenyl)methylidene]-4-oxo-2-thiazolidinylidene]acetic acid ethyl ester
IUPAC NAME: ethyl (2E)-2-[(5E)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SYSTEMATIC NAME: ethyl (2E)-2-[(5E)-3-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5-[(4-cyanophenyl)methylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate
MOLECULAR FORMULA: C22H16ClFN2O3S
MOLECULAR WEIGHT: 442.890443
SMILES: CCOC(=O)/C=C/1\N(C(=O)/C(=C\C2=CC=C(C=C2)C#N)/S1)CC3=C(C=C(C=C3)F)Cl
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Product OPENEYE NAME: 4-[(2-iminothiazol-3-yl)methyl]-6-isopropyl-7-methyl-chromen-2-one hydrochloride
CAS Name: 4-[(2-imino-3-thiazolyl)methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one hydrochloride
IUPAC NAME: 4-[(2-imino-1,3-thiazol-3-yl)methyl]-7-methyl-6-propan-2-ylchromen-2-one hydrochloride
SYSTEMATIC NAME: 4-[(2-azanylidene-1,3-thiazol-3-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one hydrochloride
MOLECULAR FORMULA: C17H19ClN2O2S
MOLECULAR WEIGHT: 350.86296
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C=CSC3=N)C(C)C.Cl
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Product OPENEYE NAME: 1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CAS Name: 1-methyl-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-2-pyrrolecarboxamide
IUPAC NAME: 1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
SYSTEMATIC NAME: 1-methyl-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
MOLECULAR FORMULA: C16H17N3O2
MOLECULAR WEIGHT: 283.32508
SMILES: CN1C=CC=C1C(=O)NC2=CC=C(C=C2)N3CCCC3=O
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Product OPENEYE NAME: N,N-dimethyl-3-[(2-methylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chloride
CAS Name: N,N-dimethyl-3-[(2-methyl-1-pyridin-1-iumyl)methyl]benzenesulfonamide chloride
IUPAC NAME: N,N-dimethyl-3-[(2-methylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chloride
SYSTEMATIC NAME: N,N-dimethyl-3-[(2-methylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chloride
MOLECULAR FORMULA: C15H19ClN2O2S
MOLECULAR WEIGHT: 326.84156
SMILES: CC1=CC=CC=[N+]1CC2=CC(=CC=C2)S(=O)(=O)N(C)C.[Cl-]
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Product OPENEYE NAME: N,N-dimethyl-3-[(2-methylpyridin-1-ium-1-yl)methyl]benzenesulfonamide
CAS Name: N,N-dimethyl-3-[(2-methyl-1-pyridin-1-iumyl)methyl]benzenesulfonamide
IUPAC NAME: N,N-dimethyl-3-[(2-methylpyridin-1-ium-1-yl)methyl]benzenesulfonamide
SYSTEMATIC NAME: N,N-dimethyl-3-[(2-methylpyridin-1-ium-1-yl)methyl]benzenesulfonamide
MOLECULAR FORMULA: C15H19N2O2S+
MOLECULAR WEIGHT: 291.38856
SMILES: CC1=CC=CC=[N+]1CC2=CC(=CC=C2)S(=O)(=O)N(C)C
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Product OPENEYE NAME: 4-[2-[(2-methoxy-1-methyl-ethyl)amino]thiazol-4-yl]benzonitrile
CAS Name: 4-[2-(1-methoxypropan-2-ylamino)-4-thiazolyl]benzonitrile
IUPAC NAME: 4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]benzonitrile
SYSTEMATIC NAME: 4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]benzenecarbonitrile
MOLECULAR FORMULA: C14H15N3OS
MOLECULAR WEIGHT: 273.3534
SMILES: CC(COC)NC1=NC(=CS1)C2=CC=C(C=C2)C#N
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Product OPENEYE NAME: 4-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]morpholine
CAS Name: 4-[4-(2,4-dimethoxyphenyl)-2-thiazolyl]morpholine
IUPAC NAME: 4-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
SYSTEMATIC NAME: 4-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
MOLECULAR FORMULA: C15H18N2O3S
MOLECULAR WEIGHT: 306.38002
SMILES: COC1=CC(=C(C=C1)C2=CSC(=N2)N3CCOCC3)OC
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Product OPENEYE NAME: 2-(3,4-dimethoxyphenyl)-N,N,4-trimethyl-thiazole-5-carboxamide
CAS Name: 2-(3,4-dimethoxyphenyl)-N,N,4-trimethyl-5-thiazolecarboxamide
IUPAC NAME: 2-(3,4-dimethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C15H18N2O3S
MOLECULAR WEIGHT: 306.38002
SMILES: CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)N(C)C
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Product OPENEYE NAME: N-(1,1-dimethyl-3-oxo-butyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CAS Name: 3-[4-(2-fluorophenyl)-1-piperazinyl]-N-(2-methyl-4-oxopentan-2-yl)propanamide
IUPAC NAME: 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide
SYSTEMATIC NAME: 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide
MOLECULAR FORMULA: C19H28FN3O2
MOLECULAR WEIGHT: 349.442923
SMILES: CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)C2=CC=CC=C2F
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Product OPENEYE NAME: N-(1,1-dimethyl-3-oxo-butyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CAS Name: 3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-N-(2-methyl-4-oxopentan-2-yl)propanamide
IUPAC NAME: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide
SYSTEMATIC NAME: 3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide
MOLECULAR FORMULA: C18H27N3O4
MOLECULAR WEIGHT: 349.42468
SMILES: CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)C(=O)C2=CC=CO2
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Product OPENEYE NAME: N-carbamoyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CAS Name: N-carbamoyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
IUPAC NAME: N-carbamoyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SYSTEMATIC NAME: N-aminocarbonyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide
MOLECULAR FORMULA: C11H11N5O3
MOLECULAR WEIGHT: 261.23674
SMILES: CC(C(=O)NC(=O)N)N1C(=O)C2=CC=CC=C2N=N1
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