N-[[2,4-bis(fluoranyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide Openeye Name: N-[(2,4-difluorophenyl)methyl]-2-(4-methyl-1-piperidyl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide CAS Name: N-[(2,4-difluorophenyl)methyl]-2-(4-methyl-1-piperidinyl)-4-(1-phenylcyclopropyl)-5-pyrimidinecarboxamide IUPAC Name: N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide Traditional Name: N-(2,4-difluorobenzyl)-2-(4-methylpiperidino)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide Formula: C27H28F2N4O MolecularWeight: 462.534226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC=C(C(=N2)C3(CC3)C4=CC=CC=C4)C(=O)NCC5=C(C=C(C=C5)F)F

Isomeric SMILES

CC1CCN(CC1)C2=NC=C(C(=N2)C3(CC3)C4=CC=CC=C4)C(=O)NCC5=C(C=C(C=C5)F)F

InChI

InChI=1S/C27H28F2N4O/c1-18-9-13-33(14-10-18)26-31-17-22(25(34)30-16-19-7-8-21(28)15-23(19)29)24(32-26)27(11-12-27)20-5-3-2-4-6-20/h2-8,15,17-18H,9-14,16H2,1H3,(H,30,34)