7-(dimethylamino)-4-(3-pyrimidin-4-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 7-(dimethylamino)-4-(3-pyrimidin-4-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 7-(dimethylamino)-4-(3-pyrimidin-4-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 7-(dimethylamino)-4-[3-(4-pyrimidinyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 7-(dimethylamino)-4-(3-pyrimidin-4-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 7-(dimethylamino)-4-[3-(4-pyrimidyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C22H18F3N5O MolecularWeight: 425.40643

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=NC=NC=C4

Isomeric SMILES

CN(C)C1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=NC=NC=C4

InChI

InChI=1S/C22H18F3N5O/c1-30(2)20-10-19-18(9-15(20)22(23,24)25)29-21(31)11-17(28-19)14-5-3-4-13(8-14)16-6-7-26-12-27-16/h3-10,12H,11H2,1-2H3,(H,29,31)