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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CN(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CN(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O4/c23-21(28)10-11-24(16-18-6-2-1-3-7-18)17-22(29)26-14-12-25(13-15-26)19-8-4-5-9-20(19)27(30)31/h1-9H,10-17H2,(H2,23,28)