4-(azepan-1-ylcarbonyl)-2-(3,4-dimethylphenyl)isoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(3,4-dimethylphenyl)isoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(3,4-dimethylphenyl)isoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(3,4-dimethylphenyl)-1-isoquinolinone IUPAC Name: 4-(azepane-1-carbonyl)-2-(3,4-dimethylphenyl)isoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-(3,4-dimethylphenyl)isocarbostyril Formula: C24H26N2O2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C24H26N2O2/c1-17-11-12-19(15-18(17)2)26-16-22(20-9-5-6-10-21(20)24(26)28)23(27)25-13-7-3-4-8-14-25/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3