4-[[4-[1-(2-nitrophenyl)piperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(2-nitrophenyl)piperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(2-nitrophenyl)isonipecotoyl]piperazino]methyl]benzonitrile Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O3/c25-17-19-5-7-20(8-6-19)18-26-13-15-28(16-14-26)24(30)21-9-11-27(12-10-21)22-3-1-2-4-23(22)29(31)32/h1-8,21H,9-16,18H2