2-[[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]piperazino]methyl]benzonitrile Formula: C23H30N6 MolecularWeight: 390.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4C#N)C

InChI

InChI=1S/C23H30N6/c1-18-15-19(2)26-23(25-18)29-9-7-22(8-10-29)28-13-11-27(12-14-28)17-21-6-4-3-5-20(21)16-24/h3-6,15,22H,7-14,17H2,1-2H3