4-[[4-[(E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-1-oxo-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]piperazino]methyl]benzonitrile Formula: C29H26N6O MolecularWeight: 474.55634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H26N6O/c30-19-23-8-10-24(11-9-23)21-33-15-17-34(18-16-33)28(36)13-12-26-22-35(27-6-2-1-3-7-27)32-29(26)25-5-4-14-31-20-25/h1-14,20,22H,15-18,21H2/b13-12+