3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(2-pyrimidinyl)-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(2-pyrimidyl)piperazino]piperidino]methyl]benzonitrile Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H26N6/c22-16-18-3-1-4-19(15-18)17-25-9-5-20(6-10-25)26-11-13-27(14-12-26)21-23-7-2-8-24-21/h1-4,7-8,15,20H,5-6,9-14,17H2