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

Systemtic Name: N-(4-cyanophenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C27H30N6O MolecularWeight: 454.5667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C#N)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C#N)CC4=CC=C(C=C4)C

InChI

InChI=1S/C27H30N6O/c1-4-25-24(17-21-7-5-19(2)6-8-21)26(30-20(3)29-25)32-13-15-33(16-14-32)27(34)31-23-11-9-22(18-28)10-12-23/h5-12H,4,13-17H2,1-3H3,(H,31,34)