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

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C28H29F6N5O MolecularWeight: 565.553179

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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(=C4)C(F)(F)F)C(F)(F)F)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(C)C

InChI

InChI=1S/C28H29F6N5O/c1-17(2)23-18(3)35-24(19-8-5-4-6-9-19)37-25(23)38-10-7-11-39(13-12-38)26(40)36-22-15-20(27(29,30)31)14-21(16-22)28(32,33)34/h4-6,8-9,14-17H,7,10-13H2,1-3H3,(H,36,40)