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

Systemtic Name: 4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide Openeye Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide CAS Name: 4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(3-ethylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide Traditional Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide Formula: C31H32ClN5O MolecularWeight: 526.07168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H32ClN5O/c1-3-23-10-7-11-27(20-23)34-31(38)37-18-16-36(17-19-37)30-28(21-24-8-5-4-6-9-24)22(2)33-29(35-30)25-12-14-26(32)15-13-25/h4-15,20H,3,16-19,21H2,1-2H3,(H,34,38)