6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone

Systemtic Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone Openeye Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone CAS Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[2-(3-methyl-1-pyrazolyl)-4-(trifluoromethyl)-5-pyrimidinyl]methanone IUPAC Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone Traditional Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone Formula: C22H17F3N6O MolecularWeight: 438.40519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C2=NC=C(C(=N2)C(F)(F)F)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53

Isomeric SMILES

CC1=NN(C=C1)C2=NC=C(C(=N2)C(F)(F)F)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53

InChI

InChI=1S/C22H17F3N6O/c1-14-8-10-31(28-14)21-26-11-17(19(27-21)22(23,24)25)20(32)30-13-16-6-4-9-29(16)12-15-5-2-3-7-18(15)30/h2-11H,12-13H2,1H3