3-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)allyl]piperazin-1-yl]benzonitrile CAS Name: 3-[4-[(E)-3-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]prop-2-enyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-[4-[(E)-3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)prop-2-enyl]piperazin-1-yl]benzonitrile Traditional Name: 3-[4-[(E)-3-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]allyl]piperazino]benzonitrile Formula: C22H23N7 MolecularWeight: 385.46492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C=CCN3CCN(CC3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)/C=C/CN3CCN(CC3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H23N7/c1-18-20(17-26-29(18)22-24-8-4-9-25-22)6-3-10-27-11-13-28(14-12-27)21-7-2-5-19(15-21)16-23/h2-9,15,17H,10-14H2,1H3/b6-3+