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

Systemtic Name: N-(4-ethylphenyl)-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(4-ethylphenyl)-5-nitro-benzamide CAS Name: N-(4-ethylphenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(4-ethylphenyl)-5-nitrobenzamide Traditional Name: 2-(4-benzylpiperazino)-N-(4-ethylphenyl)-5-nitro-benzamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-2-20-8-10-22(11-9-20)27-26(31)24-18-23(30(32)33)12-13-25(24)29-16-14-28(15-17-29)19-21-6-4-3-5-7-21/h3-13,18H,2,14-17,19H2,1H3,(H,27,31)