4-(3-methylphenyl)carbonyl-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-methylphenyl)carbonyl-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide Openeye Name: N-isobutyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(3-methylphenyl)-oxomethyl]-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-methylbenzoyl)-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide Traditional Name: N-isobutyl-4-m-toluoyl-1,4-diazepane-1-carboxamide Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)NCC(C)C

InChI

InChI=1S/C18H27N3O2/c1-14(2)13-19-18(23)21-9-5-8-20(10-11-21)17(22)16-7-4-6-15(3)12-16/h4,6-7,12,14H,5,8-11,13H2,1-3H3,(H,19,23)