1-[2-(3-methoxyphenyl)-4-pyrimidin-2-yl-piperazin-1-yl]cyclohexane-1-carbonitrile

Systemtic Name: 1-[2-(3-methoxyphenyl)-4-pyrimidin-2-yl-piperazin-1-yl]cyclohexane-1-carbonitrile Openeye Name: 1-[2-(3-methoxyphenyl)-4-pyrimidin-2-yl-piperazin-1-yl]cyclohexanecarbonitrile CAS Name: 1-[2-(3-methoxyphenyl)-4-(2-pyrimidinyl)-1-piperazinyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-[2-(3-methoxyphenyl)-4-pyrimidin-2-ylpiperazin-1-yl]cyclohexane-1-carbonitrile Traditional Name: 1-[2-(3-methoxyphenyl)-4-(2-pyrimidyl)piperazino]cyclohexanecarbonitrile Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CN(CCN2C3(CCCCC3)C#N)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C2CN(CCN2C3(CCCCC3)C#N)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O/c1-28-19-8-5-7-18(15-19)20-16-26(21-24-11-6-12-25-21)13-14-27(20)22(17-23)9-3-2-4-10-22/h5-8,11-12,15,20H,2-4,9-10,13-14,16H2,1H3