3-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]methyl]benzonitrile Formula: C20H25N5 MolecularWeight: 335.446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H25N5/c1-15(2)20-22-16(3)11-19(23-20)25-9-7-24(8-10-25)14-18-6-4-5-17(12-18)13-21/h4-6,11-12,15H,7-10,14H2,1-3H3