4-(methylamino)-3-nitro-N-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzamide

Systemtic Name: 4-(methylamino)-3-nitro-N-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzamide Openeye Name: 4-(methylamino)-3-nitro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzamide CAS Name: 4-(methylamino)-3-nitro-N-[4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]phenyl]benzamide IUPAC Name: 4-(methylamino)-3-nitro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzamide Traditional Name: N-[4-[2-keto-2-(4-phenylpiperazino)ethyl]phenyl]-4-(methylamino)-3-nitro-benzamide Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O4/c1-27-23-12-9-20(18-24(23)31(34)35)26(33)28-21-10-7-19(8-11-21)17-25(32)30-15-13-29(14-16-30)22-5-3-2-4-6-22/h2-12,18,27H,13-17H2,1H3,(H,28,33)