1-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexane-1-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)N3CCN(CC3)C4=NC=CC=N4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)N3CCN(CC3)C4=NC=CC=N4)C#N

InChI

InChI=1S/C22H27N5O/c1-28-20-5-2-4-18(16-20)22(17-23)8-6-19(7-9-22)26-12-14-27(15-13-26)21-24-10-3-11-25-21/h2-5,10-11,16,19H,6-9,12-15H2,1H3