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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-methyl-isoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-methyl-isoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-methyl-1-isoquinolinone IUPAC Name: 4-(azepane-1-carbonyl)-2-methylisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-methyl-isocarbostyril Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCCCCC3

InChI

InChI=1S/C17H20N2O2/c1-18-12-15(13-8-4-5-9-14(13)16(18)20)17(21)19-10-6-2-3-7-11-19/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3