N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-bromophenyl)-N-methyl-2-piperazin-1-yl-pyrimidine-5-carboxamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-bromophenyl)-N-methyl-2-piperazin-1-yl-pyrimidine-5-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-bromophenyl)-N-methyl-2-piperazin-1-yl-pyrimidine-5-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-bromophenyl)-N-methyl-2-(1-piperazinyl)-5-pyrimidinecarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-bromophenyl)-N-methyl-2-piperazin-1-ylpyrimidine-5-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-4-(2-bromophenyl)-N-methyl-2-piperazino-pyrimidine-5-carboxamide Formula: C25H22BrF6N5O MolecularWeight: 602.369499

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)C2=CN=C(N=C2C3=CC=CC=C3Br)N4CCNCC4

Isomeric SMILES

CN(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)C2=CN=C(N=C2C3=CC=CC=C3Br)N4CCNCC4

InChI

InChI=1S/C25H22BrF6N5O/c1-36(14-15-10-16(24(27,28)29)12-17(11-15)25(30,31)32)22(38)19-13-34-23(37-8-6-33-7-9-37)35-21(19)18-4-2-3-5-20(18)26/h2-5,10-13,33H,6-9,14H2,1H3