4-(azepan-1-ylcarbonyl)-2-(3-methoxyphenyl)isoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(3-methoxyphenyl)isoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(3-methoxyphenyl)isoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(3-methoxyphenyl)-1-isoquinolinone IUPAC Name: 4-(azepane-1-carbonyl)-2-(3-methoxyphenyl)isoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-(3-methoxyphenyl)isocarbostyril Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H24N2O3/c1-28-18-10-8-9-17(15-18)25-16-21(19-11-4-5-12-20(19)23(25)27)22(26)24-13-6-2-3-7-14-24/h4-5,8-12,15-16H,2-3,6-7,13-14H2,1H3