[5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(4-benzyl-1-piperidyl)-5-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]phenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(4-benzylpiperidin-1-yl)-5-nitrophenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-(4-benzylpiperidino)-5-nitro-phenyl]-(4-phenylpiperazino)methanone Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O3/c34-29(32-19-17-30(18-20-32)25-9-5-2-6-10-25)27-22-26(33(35)36)11-12-28(27)31-15-13-24(14-16-31)21-23-7-3-1-4-8-23/h1-12,22,24H,13-21H2