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

Systemtic Name: 2-(4-methylphenoxy)-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 2-(4-methylphenoxy)-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-2-(4-methylphenoxy)ethanone Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-20-7-10-23(11-8-20)34-19-26(31)29-15-13-28(14-16-29)22-9-12-25(30(32)33)24(17-22)27-18-21-5-3-2-4-6-21/h2-12,17,27H,13-16,18-19H2,1H3