4-ethoxy-3-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: 4-ethoxy-3-nitro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

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