Sunday, July 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H24N2O2
MOLECULAR WEIGHT: 348.43816
SMILES: CN(C)C1=CC2=C(C=C1)C(OC2=O)C3CC4=CC=CC5=C4N(C3)CCC5
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Product OPENEYE NAME: 6-(dimethylamino)-3-(4-methoxy-2-methyl-phenyl)-3H-isobenzofuran-1-one
CAS Name: 6-(dimethylamino)-3-(4-methoxy-2-methylphenyl)-3H-isobenzofuran-1-one
IUPAC NAME: 6-(dimethylamino)-3-(4-methoxy-2-methylphenyl)-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 6-(dimethylamino)-3-(4-methoxy-2-methyl-phenyl)-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: CC1=C(C=CC(=C1)OC)C2C3=C(C=C(C=C3)N(C)C)C(=O)O2
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Product OPENEYE NAME: 3,6-dimethyl-1H-indole
CAS Name: 3,6-dimethyl-1H-indole
IUPAC NAME: 3,6-dimethyl-1H-indole
SYSTEMATIC NAME: 3,6-dimethyl-1H-indole
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CC1=CC2=C(C=C1)C(=CN2)C
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Product OPENEYE NAME: 1,2-dimethylindole; 3-methylaniline
CAS Name: 1,2-dimethylindole; 3-methylaniline
IUPAC NAME: 1,2-dimethylindole; 3-methylaniline
SYSTEMATIC NAME: 1,2-dimethylindole; 3-methylaniline
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: CC1=CC(=CC=C1)N.CC1=CC2=CC=CC=C2N1C
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Product OPENEYE NAME: 1-ethyl-6-methyl-indole
CAS Name: 1-ethyl-6-methylindole
IUPAC NAME: 1-ethyl-6-methylindole
SYSTEMATIC NAME: 1-ethyl-6-methyl-indole
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CCN1C=CC2=C1C=C(C=C2)C
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Product OPENEYE NAME: 1-ethyl-3,6-dimethyl-indole
CAS Name: 1-ethyl-3,6-dimethylindole
IUPAC NAME: 1-ethyl-3,6-dimethylindole
SYSTEMATIC NAME: 1-ethyl-3,6-dimethyl-indole
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: CCN1C=C(C2=C1C=C(C=C2)C)C
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Product OPENEYE NAME: 4-methylaniline; 1-methylindole
CAS Name: 4-methylaniline; 1-methylindole
IUPAC NAME: 4-methylaniline; 1-methylindole
SYSTEMATIC NAME: 4-methylaniline; 1-methylindole
MOLECULAR FORMULA: C16H18N2
MOLECULAR WEIGHT: 238.32752
SMILES: CC1=CC=C(C=C1)N.CN1C=CC2=CC=CC=C21
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Product OPENEYE NAME: indole; 4-methylaniline
CAS Name: 1H-indole; 4-methylaniline
IUPAC NAME: 1H-indole; 4-methylaniline
SYSTEMATIC NAME: 1H-indole; 4-methylaniline
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: CC1=CC=C(C=C1)N.C1=CC=C2C(=C1)C=CN2
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Product OPENEYE NAME: 4-methoxyaniline; 1-methoxyindole
CAS Name: 4-methoxyaniline; 1-methoxyindole
IUPAC NAME: 4-methoxyaniline; 1-methoxyindole
SYSTEMATIC NAME: 4-methoxyaniline; 1-methoxyindole
MOLECULAR FORMULA: C16H18N2O2
MOLECULAR WEIGHT: 270.32632
SMILES: COC1=CC=C(C=C1)N.CON1C=CC2=CC=CC=C21
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Product OPENEYE NAME: 1-ethyl-7-methyl-indole
CAS Name: 1-ethyl-7-methylindole
IUPAC NAME: 1-ethyl-7-methylindole
SYSTEMATIC NAME: 1-ethyl-7-methyl-indole
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CCN1C=CC2=C1C(=CC=C2)C
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Product OPENEYE NAME: 1,3,5-trimethylindole
CAS Name: 1,3,5-trimethylindole
IUPAC NAME: 1,3,5-trimethylindole
SYSTEMATIC NAME: 1,3,5-trimethylindole
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CC1=CC2=C(C=C1)N(C=C2C)C
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Product OPENEYE NAME: 1,2-dimethylindole; 2-methylaniline
CAS Name: 1,2-dimethylindole; 2-methylaniline
IUPAC NAME: 1,2-dimethylindole; 2-methylaniline
SYSTEMATIC NAME: 1,2-dimethylindole; 2-methylaniline
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: CC1=CC=CC=C1N.CC1=CC2=CC=CC=C2N1C
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Product OPENEYE NAME: 3,4-dimethyl-1H-indole
CAS Name: 3,4-dimethyl-1H-indole
IUPAC NAME: 3,4-dimethyl-1H-indole
SYSTEMATIC NAME: 3,4-dimethyl-1H-indole
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CC1=C2C(=CNC2=CC=C1)C
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Product OPENEYE NAME: 1-ethyl-3,7-dimethyl-indole
CAS Name: 1-ethyl-3,7-dimethylindole
IUPAC NAME: 1-ethyl-3,7-dimethylindole
SYSTEMATIC NAME: 1-ethyl-3,7-dimethyl-indole
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: CCN1C=C(C2=C1C(=CC=C2)C)C
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