2-methyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)-4-[4-(1,2,4-triazol-4-yl)phenyl]benzenecarbonitrile

Systemtic Name: 2-methyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)-4-[4-(1,2,4-triazol-4-yl)phenyl]benzenecarbonitrile Openeye Name: 2-methyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)-4-[4-(1,2,4-triazol-4-yl)phenyl]benzonitrile CAS Name: 2-methyl-6-[4-(4-pyrimidinyl)-1-piperazinyl]-4-[4-(1,2,4-triazol-4-yl)phenyl]benzonitrile IUPAC Name: 2-methyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)-4-[4-(1,2,4-triazol-4-yl)phenyl]benzonitrile Traditional Name: 2-methyl-6-[4-(4-pyrimidyl)piperazino]-4-[4-(1,2,4-triazol-4-yl)phenyl]benzonitrile Formula: C24H22N8 MolecularWeight: 422.48508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)N3C=NN=C3)N4CCN(CC4)C5=NC=NC=C5)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)N3C=NN=C3)N4CCN(CC4)C5=NC=NC=C5)C#N

InChI

InChI=1S/C24H22N8/c1-18-12-20(19-2-4-21(5-3-19)32-16-28-29-17-32)13-23(22(18)14-25)30-8-10-31(11-9-30)24-6-7-26-15-27-24/h2-7,12-13,15-17H,8-11H2,1H3