N-[3,5-bis(trifluoromethyl)phenyl]-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C27H27F6N5O MolecularWeight: 551.526599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)C

InChI

InChI=1S/C27H27F6N5O/c1-16-4-6-19(7-5-16)12-23-17(2)34-18(3)35-24(23)37-8-10-38(11-9-37)25(39)36-22-14-20(26(28,29)30)13-21(15-22)27(31,32)33/h4-7,13-15H,8-12H2,1-3H3,(H,36,39)