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

Systemtic Name: [4-[4-nitro-3-[4-(phenylmethyl)piperazin-1-yl]phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-(4-benzylpiperazin-1-yl)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[4-nitro-3-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[3-(4-benzylpiperazino)-4-nitro-phenyl]piperazino]-phenyl-methanone Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O3/c34-28(24-9-5-2-6-10-24)32-19-17-30(18-20-32)25-11-12-26(33(35)36)27(21-25)31-15-13-29(14-16-31)22-23-7-3-1-4-8-23/h1-12,21H,13-20,22H2