3-[[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(4-methoxy-2-pyrimidinyl)-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(4-methoxypyrimidin-2-yl)piperazino]piperidino]methyl]benzonitrile Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=NC(=NC=C1)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H28N6O/c1-29-21-5-8-24-22(25-21)28-13-11-27(12-14-28)20-6-9-26(10-7-20)17-19-4-2-3-18(15-19)16-23/h2-5,8,15,20H,6-7,9-14,17H2,1H3