azepan-1-yl-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]methanone

Systemtic Name: azepan-1-yl-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]methanone Openeye Name: azepan-1-yl-[2-(1,3-benzodioxol-5-yl)-4-quinolyl]methanone CAS Name: 1-azepanyl-[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]methanone IUPAC Name: azepan-1-yl-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]methanone Traditional Name: azepan-1-yl-[2-(1,3-benzodioxol-5-yl)-4-quinolyl]methanone Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O3/c26-23(25-11-5-1-2-6-12-25)18-14-20(24-19-8-4-3-7-17(18)19)16-9-10-21-22(13-16)28-15-27-21/h3-4,7-10,13-14H,1-2,5-6,11-12,15H2