prop-2-enyl 4-methyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-methyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 4-methyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrimidine-5-carboxylic acid allyl ester Formula: C27H25F3N4O3 MolecularWeight: 510.50761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OCC=C)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OCC=C)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C27H25F3N4O3/c1-3-16-37-26(36)22-18(2)31-24(19-8-5-4-6-9-19)32-23(22)25(35)34-14-12-33(13-15-34)21-11-7-10-20(17-21)27(28,29)30/h3-11,17H,1,12-16H2,2H3