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

Systemtic Name: 2-(4-tert-butylphenoxy)-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-tert-butylphenoxy)ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone Traditional Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-2-(4-tert-butylphenoxy)ethanone Formula: C29H34N4O4 MolecularWeight: 502.60466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O4/c1-29(2,3)23-9-12-25(13-10-23)37-21-28(34)32-17-15-31(16-18-32)24-11-14-27(33(35)36)26(19-24)30-20-22-7-5-4-6-8-22/h4-14,19,30H,15-18,20-21H2,1-3H3