azepan-1-yl-(1-piperidin-1-ylisoquinolin-4-yl)methanone

Systemtic Name: azepan-1-yl-(1-piperidin-1-ylisoquinolin-4-yl)methanone Openeye Name: azepan-1-yl-[1-(1-piperidyl)-4-isoquinolyl]methanone CAS Name: 1-azepanyl-[1-(1-piperidinyl)-4-isoquinolinyl]methanone IUPAC Name: azepan-1-yl-(1-piperidin-1-ylisoquinolin-4-yl)methanone Traditional Name: azepan-1-yl-(1-piperidino-4-isoquinolyl)methanone Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C21H27N3O/c25-21(24-14-6-1-2-7-15-24)19-16-22-20(23-12-8-3-9-13-23)18-11-5-4-10-17(18)19/h4-5,10-11,16H,1-3,6-9,12-15H2