[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]methanone CAS Name: [3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanone Traditional Name: (4-benzylpiperidino)-[3-nitro-4-[4-(2-pyridyl)piperazino]phenyl]methanone Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

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