N-[3-(azepan-1-yl)propyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(1-oxo-2-isoquinolyl)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(1-oxoisoquinolin-2-yl)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(1-keto-2-isoquinolyl)acetamide Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H27N3O2/c24-19(21-11-7-14-22-12-5-1-2-6-13-22)16-23-15-10-17-8-3-4-9-18(17)20(23)25/h3-4,8-10,15H,1-2,5-7,11-14,16H2,(H,21,24)