3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(benzylcarbamoyl)propanamide CAS Name: 3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: 3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(benzylcarbamoyl)propanamide Traditional Name: 3-[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:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H35N5O3/c29-21(25-23(31)24-18-20-8-4-3-5-9-20)10-13-26-14-16-27(17-15-26)19-22(30)28-11-6-1-2-7-12-28/h3-5,8-9H,1-2,6-7,10-19H2,(H2,24,25,29,31)