(4-methylphenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[4-nitro-3-(4-phenylpiperazino)phenyl]piperazino]-(p-tolyl)methanone Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N5O3/c1-22-7-9-23(10-8-22)28(34)32-19-15-30(16-20-32)25-11-12-26(33(35)36)27(21-25)31-17-13-29(14-18-31)24-5-3-2-4-6-24/h2-12,21H,13-20H2,1H3