[4-(azepan-1-yl)-6,7-dimethoxy-quinolin-3-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-(azepan-1-yl)-6,7-dimethoxy-quinolin-3-yl]-(4-methylphenyl)methanone Openeye Name: [4-(azepan-1-yl)-6,7-dimethoxy-3-quinolyl]-(p-tolyl)methanone CAS Name: [4-(1-azepanyl)-6,7-dimethoxy-3-quinolinyl]-(4-methylphenyl)methanone IUPAC Name: [4-(azepan-1-yl)-6,7-dimethoxyquinolin-3-yl]-(4-methylphenyl)methanone Traditional Name: [4-(azepan-1-yl)-6,7-dimethoxy-3-quinolyl]-(p-tolyl)methanone Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC(=C(C=C3N=C2)OC)OC)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC(=C(C=C3N=C2)OC)OC)N4CCCCCC4

InChI

InChI=1S/C25H28N2O3/c1-17-8-10-18(11-9-17)25(28)20-16-26-21-15-23(30-3)22(29-2)14-19(21)24(20)27-12-6-4-5-7-13-27/h8-11,14-16H,4-7,12-13H2,1-3H3