azepan-1-yl-(1-chloranylisoquinolin-3-yl)methanone

Systemtic Name: azepan-1-yl-(1-chloranylisoquinolin-3-yl)methanone Openeye Name: azepan-1-yl-(1-chloro-3-isoquinolyl)methanone CAS Name: 1-azepanyl-(1-chloro-3-isoquinolinyl)methanone IUPAC Name: azepan-1-yl-(1-chloroisoquinolin-3-yl)methanone Traditional Name: azepan-1-yl-(1-chloro-3-isoquinolyl)methanone Formula: C16H17ClN2O MolecularWeight: 288.77198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=N2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=N2)Cl

InChI

InChI=1S/C16H17ClN2O/c17-15-13-8-4-3-7-12(13)11-14(18-15)16(20)19-9-5-1-2-6-10-19/h3-4,7-8,11H,1-2,5-6,9-10H2