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

Systemtic Name: N-(2-methylphenyl)-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-(o-tolyl)piperazine-1-carboxamide CAS Name: N-(2-methylphenyl)-4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(o-tolyl)piperazine-1-carboxamide Formula: C30H31N5O MolecularWeight: 477.60004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C30H31N5O/c1-22-11-9-10-16-27(22)32-30(36)35-19-17-34(18-20-35)29-26(21-24-12-5-3-6-13-24)23(2)31-28(33-29)25-14-7-4-8-15-25/h3-16H,17-21H2,1-2H3,(H,32,36)