3-nitro-N-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl]benzamide Openeye Name: N-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl]benzamide IUPAC Name: N-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl]-3-nitro-benzamide Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O4/c32-25(18-27-26(33)21-7-4-8-24(17-21)31(34)35)28-22-9-11-23(12-10-22)30-15-13-29(14-16-30)19-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,27,33)(H,28,32)