4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-nitrophenyl)-2-pyridin-2-yl-butanenitrile

Systemtic Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-nitrophenyl)-2-pyridin-2-yl-butanenitrile Openeye Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-nitrophenyl)-2-(2-pyridyl)butanenitrile CAS Name: 4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(2-nitrophenyl)-2-(2-pyridinyl)butanenitrile IUPAC Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-nitrophenyl)-2-pyridin-2-ylbutanenitrile Traditional Name: 4-[4-(2-methoxyphenyl)piperazino]-2-(2-nitrophenyl)-2-(2-pyridyl)butyronitrile Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C#N)(C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C#N)(C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=N4

InChI

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