4-[3-(2-methylpyrimidin-4-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(2-methylpyrimidin-4-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(2-methylpyrimidin-4-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(2-methyl-4-pyrimidinyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(2-methylpyrimidin-4-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(2-methylpyrimidin-4-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H15F3N4O MolecularWeight: 396.36521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)C3=NC4=C(C=C(C=C4)C(F)(F)F)NC(=O)C3

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)C3=NC4=C(C=C(C=C4)C(F)(F)F)NC(=O)C3

InChI

InChI=1S/C21H15F3N4O/c1-12-25-8-7-16(26-12)13-3-2-4-14(9-13)18-11-20(29)28-19-10-15(21(22,23)24)5-6-17(19)27-18/h2-10H,11H2,1H3,(H,28,29)