[2-(4-methoxyphenyl)quinolin-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [2-(4-methoxyphenyl)quinolin-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(4-methoxyphenyl)-4-quinolyl]methanone CAS Name: [2-(4-methoxyphenyl)-4-quinolinyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(4-methoxyphenyl)-4-quinolyl]methanone Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2/c1-34-24-14-12-23(13-15-24)28-20-26(25-10-5-6-11-27(25)30-28)29(33)32-17-7-16-31(18-19-32)21-22-8-3-2-4-9-22/h2-6,8-15,20H,7,16-19,21H2,1H3