4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)-N-(phenylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(m-tolyl)pyrimidine-5-carboxamide CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-2-(3-methylphenyl)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-[4-(2-fluorophenyl)piperazino]-2-(m-tolyl)pyrimidine-5-carboxamide Formula: C29H28FN5O MolecularWeight: 481.563923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=C(C(=N2)N3CCN(CC3)C4=CC=CC=C4F)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=C(C(=N2)N3CCN(CC3)C4=CC=CC=C4F)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C29H28FN5O/c1-21-8-7-11-23(18-21)27-31-20-24(29(36)32-19-22-9-3-2-4-10-22)28(33-27)35-16-14-34(15-17-35)26-13-6-5-12-25(26)30/h2-13,18,20H,14-17,19H2,1H3,(H,32,36)