Monday, July 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-ethyl-2-methyl-6-[2-(2-thienyl)ethyl]-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
CAS Name: 3-ethyl-2-methyl-6-(2-thiophen-2-ylethyl)-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
IUPAC NAME: 3-ethyl-2-methyl-6-(2-thiophen-2-ylethyl)-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
SYSTEMATIC NAME: 3-ethyl-2-methyl-6-(2-thiophen-2-ylethyl)-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
MOLECULAR FORMULA: C20H26N2OS
MOLECULAR WEIGHT: 342.49824
SMILES: CCC1=C(NC2=C1C(=O)C3CN(CCC3C2)CCC4=CC=CS4)C
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Product OPENEYE NAME: 2-acetyl-3,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
CAS Name: 2-acetyl-3,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
IUPAC NAME: 2-acetyl-3,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
SYSTEMATIC NAME: 2-ethanoyl-3,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
MOLECULAR FORMULA: C15H20N2O2
MOLECULAR WEIGHT: 260.3315
SMILES: CC1=C(NC2=C1C(=O)C3CN(CCC3C2)C)C(=O)C
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Product OPENEYE NAME: 3-ethyl-6-(2-hydroxy-3-methyl-butyl)-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-4-thione
CAS Name: 3-ethyl-6-(2-hydroxy-3-methylbutyl)-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-4-thione
IUPAC NAME: 3-ethyl-6-(2-hydroxy-3-methylbutyl)-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-4-thione
SYSTEMATIC NAME: 3-ethyl-2-methyl-6-(3-methyl-2-oxidanyl-butyl)-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-4-thione
MOLECULAR FORMULA: C19H30N2OS
MOLECULAR WEIGHT: 334.5193
SMILES: CCC1=C(NC2=C1C(=S)C3CN(CCC3C2)CC(C(C)C)O)C
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Product OPENEYE NAME: 6-[2-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxy-ethyl]-3-ethyl-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
CAS Name: 6-[2-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyethyl]-3-ethyl-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
IUPAC NAME: 6-[2-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyethyl]-3-ethyl-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
SYSTEMATIC NAME: 6-[2-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-oxidanyl-ethyl]-3-ethyl-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
MOLECULAR FORMULA: C23H26ClF3N2O2
MOLECULAR WEIGHT: 454.91295
SMILES: CCC1=C(NC2=C1C(=O)C3CN(CCC3C2)CC(C4=CC(=C(C=C4)Cl)C(F)(F)F)O)C
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Product OPENEYE NAME: 3-(3-ethyl-2-methyl-4-thioxo-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-1-(4-fluorophenyl)propan-1-one
CAS Name: 3-(3-ethyl-2-methyl-4-sulfanylidene-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-1-(4-fluorophenyl)-1-propanone
IUPAC NAME: 3-(3-ethyl-2-methyl-4-sulfanylidene-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-1-(4-fluorophenyl)propan-1-one
SYSTEMATIC NAME: 3-(3-ethyl-2-methyl-4-sulfanylidene-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-1-(4-fluorophenyl)propan-1-one
MOLECULAR FORMULA: C23H27FN2OS
MOLECULAR WEIGHT: 398.536683
SMILES: CCC1=C(NC2=C1C(=S)C3CN(CCC3C2)CCC(=O)C4=CC=C(C=C4)F)C
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Product OPENEYE NAME: 2,3-dimethyl-1,4a,5,6,7,8,8a,9-octahydropyrrolo[2,3-g]isoquinolin-4-one
CAS Name: 2,3-dimethyl-1,4a,5,6,7,8,8a,9-octahydropyrrolo[2,3-g]isoquinolin-4-one
IUPAC NAME: 2,3-dimethyl-1,4a,5,6,7,8,8a,9-octahydropyrrolo[2,3-g]isoquinolin-4-one
SYSTEMATIC NAME: 2,3-dimethyl-1,4a,5,6,7,8,8a,9-octahydropyrrolo[2,3-g]isoquinolin-4-one
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC1=C(NC2=C1C(=O)C3CNCCC3C2)C
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Product OPENEYE NAME: N-ethyl-3,5-dimethoxy-aniline hydrochloride
CAS Name: N-ethyl-3,5-dimethoxyaniline hydrochloride
IUPAC NAME: N-ethyl-3,5-dimethoxyaniline hydrochloride
SYSTEMATIC NAME: N-ethyl-3,5-dimethoxy-aniline hydrochloride
MOLECULAR FORMULA: C10H16ClNO2
MOLECULAR WEIGHT: 217.69254
SMILES: CCNC1=CC(=CC(=C1)OC)OC.Cl
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Product OPENEYE NAME: 2-(3,5-dimethoxyphenyl)ethylcarbamic acid
CAS Name: 2-(3,5-dimethoxyphenyl)ethylcarbamic acid
IUPAC NAME: 2-(3,5-dimethoxyphenyl)ethylcarbamic acid
SYSTEMATIC NAME: 2-(3,5-dimethoxyphenyl)ethylcarbamic acid
MOLECULAR FORMULA: C11H15NO4
MOLECULAR WEIGHT: 225.2411
SMILES: COC1=CC(=CC(=C1)CCNC(=O)O)OC
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Product OPENEYE NAME: 2,3-dimethyl-6-(2-phenylethyl)-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
CAS Name: 2,3-dimethyl-6-(2-phenylethyl)-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
IUPAC NAME: 2,3-dimethyl-6-(2-phenylethyl)-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
SYSTEMATIC NAME: 2,3-dimethyl-6-(2-phenylethyl)-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
MOLECULAR FORMULA: C21H26N2O
MOLECULAR WEIGHT: 322.44394
SMILES: CC1=C(NC2=C1C(=O)C3CN(CCC3C2)CCC4=CC=CC=C4)C
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Product OPENEYE NAME: 1-benzyl-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one
CAS Name: 3-ethyl-2,6-dimethyl-1-(phenylmethyl)-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one
IUPAC NAME: 1-benzyl-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one
SYSTEMATIC NAME: 3-ethyl-2,6-dimethyl-1-(phenylmethyl)-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one
MOLECULAR FORMULA: C22H28N2O
MOLECULAR WEIGHT: 336.47052
SMILES: CCC1=C(N(C2=C1C(=O)C3CN(CCC3C2)C)CC4=CC=CC=C4)C
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Product OPENEYE NAME: 6-(cyclopropylmethyl)-3-ethyl-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one hydrochloride
CAS Name: 6-(cyclopropylmethyl)-3-ethyl-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one hydrochloride
IUPAC NAME: 6-(cyclopropylmethyl)-3-ethyl-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one hydrochloride
SYSTEMATIC NAME: 6-(cyclopropylmethyl)-3-ethyl-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one hydrochloride
MOLECULAR FORMULA: C18H27ClN2O
MOLECULAR WEIGHT: 322.87278
SMILES: CCC1=C(NC2=C1C(=O)C3CN(CCC3C2)CC4CC4)C.Cl
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