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

Systemtic Name: 1-[4-(4-methylphenyl)phenyl]carbonyl-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Openeye Name: 1-[4-(p-tolyl)benzoyl]-4-(4-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 1-[[4-(4-methylphenyl)phenyl]-oxomethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-[4-(4-methylphenyl)benzoyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Traditional Name: 1-[4-(p-tolyl)benzoyl]-4-(4-pyridylmethyl)-1,4-diazepan-5-one Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCC(=O)N(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCC(=O)N(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C25H25N3O2/c1-19-2-4-21(5-3-19)22-6-8-23(9-7-22)25(30)27-15-12-24(29)28(17-16-27)18-20-10-13-26-14-11-20/h2-11,13-14H,12,15-18H2,1H3