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

Systemtic Name: N-(4-cyanophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(4-cyanophenyl)piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(4-cyanophenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(4-cyanophenyl)piperazine-1-carboxamide Formula: C26H28N6O MolecularWeight: 440.54012

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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=CC=C4

Isomeric SMILES

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

InChI

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