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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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