(E)-3-(3-nitrophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-nitrophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-nitrophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-enenitrile CAS Name: (E)-3-(3-nitrophenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propenenitrile IUPAC Name: (E)-3-(3-nitrophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-nitrophenyl)-3-[4-(2-pyrimidyl)piperazino]acrylonitrile Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=CC#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)/C(=C/C#N)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O2/c18-6-5-16(14-3-1-4-15(13-14)23(24)25)21-9-11-22(12-10-21)17-19-7-2-8-20-17/h1-5,7-8,13H,9-12H2/b16-5+