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

Systemtic Name: N-(3-fluorophenyl)-4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]-N-(3-fluorophenyl)piperazine-1-carboxamide CAS Name: N-(3-fluorophenyl)-4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-[5-benzyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]-N-(3-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]-N-(3-fluorophenyl)piperazine-1-carboxamide Formula: C30H30FN5O MolecularWeight: 495.590503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)F)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)F)CC5=CC=CC=C5)C

InChI

InChI=1S/C30H30FN5O/c1-21-11-13-24(14-12-21)28-32-22(2)27(19-23-7-4-3-5-8-23)29(34-28)35-15-17-36(18-16-35)30(37)33-26-10-6-9-25(31)20-26/h3-14,20H,15-19H2,1-2H3,(H,33,37)