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

Systemtic Name: N-(3-ethylphenyl)-4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide CAS Name: N-(3-ethylphenyl)-4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide Traditional Name: 4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide Formula: C31H32FN5O MolecularWeight: 509.617083

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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(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C31H32FN5O/c1-3-23-11-7-14-27(19-23)34-31(38)37-17-15-36(16-18-37)30-28(20-24-9-5-4-6-10-24)22(2)33-29(35-30)25-12-8-13-26(32)21-25/h4-14,19,21H,3,15-18,20H2,1-2H3,(H,34,38)