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

Systemtic Name: N-(4-nitrophenyl)-3-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]propanamide Openeye Name: 3-[4-[2-(benzylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: N-(4-nitrophenyl)-3-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinyl]propanamide IUPAC Name: 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[4-[2-(benzylamino)-2-keto-ethyl]piperazino]-N-(4-nitrophenyl)propionamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O4/c28-21(24-19-6-8-20(9-7-19)27(30)31)10-11-25-12-14-26(15-13-25)17-22(29)23-16-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,29)(H,24,28)