(4-ethylphenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-ethylphenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: (4-ethylphenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-(4-ethylphenyl)methanone Formula: C26H28N4O3 MolecularWeight: 444.52552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-2-20-8-10-22(11-9-20)26(31)29-16-14-28(15-17-29)23-12-13-25(30(32)33)24(18-23)27-19-21-6-4-3-5-7-21/h3-13,18,27H,2,14-17,19H2,1H3