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

Systemtic Name: N-(2-ethoxyphenyl)-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(2-ethoxyphenyl)-5-nitro-benzamide CAS Name: N-(2-ethoxyphenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-ethoxyphenyl)-5-nitrobenzamide Traditional Name: 2-(4-benzylpiperazino)-5-nitro-N-o-phenetyl-benzamide Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-2-34-25-11-7-6-10-23(25)27-26(31)22-18-21(30(32)33)12-13-24(22)29-16-14-28(15-17-29)19-20-8-4-3-5-9-20/h3-13,18H,2,14-17,19H2,1H3,(H,27,31)