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

Systemtic Name: 4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]-N-phenyl-piperazine-1-carboxamide Formula: C29H28ClN5O MolecularWeight: 498.01852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)NC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)NC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H28ClN5O/c1-21-26(20-22-8-4-2-5-9-22)28(33-27(31-21)23-12-14-24(30)15-13-23)34-16-18-35(19-17-34)29(36)32-25-10-6-3-7-11-25/h2-15H,16-20H2,1H3,(H,32,36)