1-(2-methoxyphenyl)-2-[1-(2-nitrophenyl)-3-pyridin-2-yl-propyl]piperazine-2-carbonitrile

Systemtic Name: 1-(2-methoxyphenyl)-2-[1-(2-nitrophenyl)-3-pyridin-2-yl-propyl]piperazine-2-carbonitrile Openeye Name: 1-(2-methoxyphenyl)-2-[1-(2-nitrophenyl)-3-(2-pyridyl)propyl]piperazine-2-carbonitrile CAS Name: 1-(2-methoxyphenyl)-2-[1-(2-nitrophenyl)-3-(2-pyridinyl)propyl]-2-piperazinecarbonitrile IUPAC Name: 1-(2-methoxyphenyl)-2-[1-(2-nitrophenyl)-3-pyridin-2-ylpropyl]piperazine-2-carbonitrile Traditional Name: 1-(2-methoxyphenyl)-2-[1-(2-nitrophenyl)-3-(2-pyridyl)propyl]piperazine-2-carbonitrile Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCNCC2(C#N)C(CCC3=CC=CC=N3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCNCC2(C#N)C(CCC3=CC=CC=N3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O3/c1-34-25-12-5-4-11-24(25)30-17-16-28-19-26(30,18-27)22(14-13-20-8-6-7-15-29-20)21-9-2-3-10-23(21)31(32)33/h2-12,15,22,28H,13-14,16-17,19H2,1H3