3-[[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazino]piperidino]methyl]benzonitrile Formula: C23H30N6 MolecularWeight: 390.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N)C

InChI

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