1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-2-phenoxy-ethanone Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O4/c30-25(19-33-22-9-5-2-6-10-22)28-15-13-27(14-16-28)21-11-12-24(29(31)32)23(17-21)26-18-20-7-3-1-4-8-20/h1-12,17,26H,13-16,18-19H2