(4-methyl-1,4-diazepan-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone hydrochloride

Systemtic Name: (4-methyl-1,4-diazepan-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone hydrochloride Openeye Name: (4-methyl-1,4-diazepan-1-yl)-[2-(p-tolyl)-4-quinolyl]methanone hydrochloride CAS Name: (4-methyl-1,4-diazepan-1-yl)-[2-(4-methylphenyl)-4-quinolinyl]methanone hydrochloride IUPAC Name: (4-methyl-1,4-diazepan-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone hydrochloride Traditional Name: (4-methyl-1,4-diazepan-1-yl)-[2-(p-tolyl)-4-quinolyl]methanone hydrochloride Formula: C23H26ClN3O MolecularWeight: 395.92504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCN(CC4)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCN(CC4)C.Cl

InChI

InChI=1S/C23H25N3O.ClH/c1-17-8-10-18(11-9-17)22-16-20(19-6-3-4-7-21(19)24-22)23(27)26-13-5-12-25(2)14-15-26;/h3-4,6-11,16H,5,12-15H2,1-2H3;1H