2-(methylamino)-5-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 2-(methylamino)-5-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(methylamino)-5-nitro-benzamide CAS Name: 2-(methylamino)-5-nitro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-2-(methylamino)-5-nitro-benzamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3/c1-26-24-12-11-22(30(32)33)17-23(24)25(31)27-20-7-9-21(10-8-20)29-15-13-28(14-16-29)18-19-5-3-2-4-6-19/h2-12,17,26H,13-16,18H2,1H3,(H,27,31)