1-[[4-(2-methylphenyl)phenyl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[[4-(2-methylphenyl)phenyl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Openeye Name: 1-[[4-(o-tolyl)phenyl]methyl]-4-(4-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 1-[[4-(2-methylphenyl)phenyl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-[[4-(2-methylphenyl)phenyl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Traditional Name: 1-[4-(o-tolyl)benzyl]-4-(4-pyridylmethyl)-1,4-diazepan-5-one Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)CN3CCC(=O)N(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)CN3CCC(=O)N(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C25H27N3O/c1-20-4-2-3-5-24(20)23-8-6-21(7-9-23)18-27-15-12-25(29)28(17-16-27)19-22-10-13-26-14-11-22/h2-11,13-14H,12,15-19H2,1H3