4-[3-(6-azanylpyrimidin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(6-azanylpyrimidin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(6-aminopyrimidin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(6-amino-4-pyrimidinyl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(6-aminopyrimidin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(6-aminopyrimidin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H16F3N5O MolecularWeight: 411.37985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC(=NC=N4)N

Isomeric SMILES

CC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC(=NC=N4)N

InChI

InChI=1S/C21H16F3N5O/c1-11-5-17-18(7-14(11)21(22,23)24)29-20(30)9-16(28-17)13-4-2-3-12(6-13)15-8-19(25)27-10-26-15/h2-8,10H,9H2,1H3,(H,29,30)(H2,25,26,27)