1-(6-ethyl-2-methyl-quinolin-4-yl)carbonyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-(6-ethyl-2-methyl-quinolin-4-yl)carbonyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-(6-ethyl-2-methyl-quinoline-4-carbonyl)-4-(o-tolylmethyl)-1,4-diazepan-5-one CAS Name: 1-[(6-ethyl-2-methyl-4-quinolinyl)-oxomethyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(6-ethyl-2-methyl-quinoline-4-carbonyl)-4-(2-methylbenzyl)-1,4-diazepan-5-one Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCC(=O)N(CC3)CC4=CC=CC=C4C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCC(=O)N(CC3)CC4=CC=CC=C4C)C

InChI

InChI=1S/C26H29N3O2/c1-4-20-9-10-24-22(16-20)23(15-19(3)27-24)26(31)28-12-11-25(30)29(14-13-28)17-21-8-6-5-7-18(21)2/h5-10,15-16H,4,11-14,17H2,1-3H3