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

Systemtic Name: N-(4-chlorophenyl)-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-chlorophenyl)piperazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide Formula: C25H28ClN5O MolecularWeight: 449.97572

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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)Cl)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN5O/c1-3-23-22(17-19-7-5-4-6-8-19)24(28-18(2)27-23)30-13-15-31(16-14-30)25(32)29-21-11-9-20(26)10-12-21/h4-12H,3,13-17H2,1-2H3,(H,29,32)