4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C27H30F3N5O MolecularWeight: 497.55521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC=CC=C4C(F)(F)F)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC=CC=C4C(F)(F)F)C(C)C

InChI

InChI=1S/C27H30F3N5O/c1-18(2)23-19(3)31-24(20-10-5-4-6-11-20)33-25(23)34-14-9-15-35(17-16-34)26(36)32-22-13-8-7-12-21(22)27(28,29)30/h4-8,10-13,18H,9,14-17H2,1-3H3,(H,32,36)