1-[3-(3-methylphenyl)phenyl]carbonyl-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[3-(3-methylphenyl)phenyl]carbonyl-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Openeye Name: 1-[3-(m-tolyl)benzoyl]-4-(4-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 1-[[3-(3-methylphenyl)phenyl]-oxomethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-[3-(3-methylphenyl)benzoyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Traditional Name: 1-[3-(m-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=CC(=C1)C2=CC(=CC=C2)C(=O)N3CCC(=O)N(CC3)CC4=CC=NC=C4

Isomeric SMILES

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

InChI

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