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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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