4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(p-tolylmethyl)piperazine-1-carboxamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-methylbenzyl)piperazine-1-carboxamide Formula: C21H32N4O2 MolecularWeight: 372.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H32N4O2/c1-18-6-8-19(9-7-18)16-22-21(27)25-14-12-23(13-15-25)17-20(26)24-10-4-2-3-5-11-24/h6-9H,2-5,10-17H2,1H3,(H,22,27)