[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone

Systemtic Name: [4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone Openeye Name: (3-benzyloxyphenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: [4-[3-(methylamino)-4-nitrophenyl]-1-piperazinyl]-(3-phenylmethoxyphenyl)methanone IUPAC Name: [4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone Traditional Name: (3-benzoxyphenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazino]methanone Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O4/c1-26-23-17-21(10-11-24(23)29(31)32)27-12-14-28(15-13-27)25(30)20-8-5-9-22(16-20)33-18-19-6-3-2-4-7-19/h2-11,16-17,26H,12-15,18H2,1H3