1-(2-cyclopropylquinolin-4-yl)carbonyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-(2-cyclopropylquinolin-4-yl)carbonyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-(2-cyclopropylquinoline-4-carbonyl)-4-(o-tolylmethyl)-1,4-diazepan-5-one CAS Name: 1-[(2-cyclopropyl-4-quinolinyl)-oxomethyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-(2-cyclopropylquinoline-4-carbonyl)-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(2-cyclopropylquinoline-4-carbonyl)-4-(2-methylbenzyl)-1,4-diazepan-5-one Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C26H27N3O2/c1-18-6-2-3-7-20(18)17-29-15-14-28(13-12-25(29)30)26(31)22-16-24(19-10-11-19)27-23-9-5-4-8-21(22)23/h2-9,16,19H,10-15,17H2,1H3