N-(3-chlorophenyl)-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(3-chlorophenyl)piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-N-(3-chlorophenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(3-chlorophenyl)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=CC=C2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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