2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(benzylcarbamoyl)propanamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(benzylcarbamoyl)propanamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(benzylcarbamoyl)propionamide Formula: C23H35N5O3 MolecularWeight: 429.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C23H35N5O3/c1-19(22(30)25-23(31)24-17-20-9-5-4-6-10-20)27-15-13-26(14-16-27)18-21(29)28-11-7-2-3-8-12-28/h4-6,9-10,19H,2-3,7-8,11-18H2,1H3,(H2,24,25,30,31)