N-(3-cyanophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-cyanophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(3-cyanophenyl)-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(3-cyanophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-cyanophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(3-cyanophenyl)-4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C26H28N6O MolecularWeight: 440.54012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)NC4=CC=CC(=C4)C#N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)NC4=CC=CC(=C4)C#N)C)C

InChI

InChI=1S/C26H28N6O/c1-18-7-9-21(10-8-18)16-24-19(2)28-20(3)29-25(24)31-11-13-32(14-12-31)26(33)30-23-6-4-5-22(15-23)17-27/h4-10,15H,11-14,16H2,1-3H3,(H,30,33)