1-[4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazino]-2-phenyl-butan-1-one Formula: C28H31F3N4O MolecularWeight: 496.56715

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)C(CC)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)C(CC)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F)C

InChI

InChI=1S/C28H31F3N4O/c1-4-23-19(3)32-25(21-12-9-13-22(18-21)28(29,30)31)33-26(23)34-14-16-35(17-15-34)27(36)24(5-2)20-10-7-6-8-11-20/h6-13,18,24H,4-5,14-17H2,1-3H3