N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitro-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-3-nitro-benzamide Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N4O5/c31-26(20-5-4-8-22(15-20)30(32)33)27-17-23(19-9-10-24-25(16-19)35-18-34-24)29-13-11-28(12-14-29)21-6-2-1-3-7-21/h1-10,15-16,23H,11-14,17-18H2,(H,27,31)