1-[4-(2-methylpropyl)phenyl]carbonyl-4-(pyridin-3-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[4-(2-methylpropyl)phenyl]carbonyl-4-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Openeye Name: 1-(4-isobutylbenzoyl)-4-(3-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 1-[[4-(2-methylpropyl)phenyl]-oxomethyl]-4-(3-pyridinylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-[4-(2-methylpropyl)benzoyl]-4-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Traditional Name: 1-(4-isobutylbenzoyl)-4-(3-pyridylmethyl)-1,4-diazepan-5-one Formula: C22H27N3O2 MolecularWeight: 365.46868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)N2CCC(=O)N(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)N2CCC(=O)N(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-17(2)14-18-5-7-20(8-6-18)22(27)24-11-9-21(26)25(13-12-24)16-19-4-3-10-23-15-19/h3-8,10,15,17H,9,11-14,16H2,1-2H3