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

Systemtic Name: N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)piperazine-1-carboxamide CAS Name: N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]-N-p-phenetyl-piperazine-1-carboxamide Formula: C31H32FN5O2 MolecularWeight: 525.616483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC(=CC=C5)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC(=CC=C5)F

InChI

InChI=1S/C31H32FN5O2/c1-3-39-27-14-12-26(13-15-27)34-31(38)37-18-16-36(17-19-37)30-28(20-23-8-5-4-6-9-23)22(2)33-29(35-30)24-10-7-11-25(32)21-24/h4-15,21H,3,16-20H2,1-2H3,(H,34,38)