4-[7-(2-methylpropylamino)-2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile

Systemtic Name: 4-[7-(2-methylpropylamino)-2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Openeye Name: 4-[7-(isobutylamino)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile CAS Name: 4-[7-(2-methylpropylamino)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[7-(2-methylpropylamino)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Traditional Name: 4-[7-(isobutylamino)-2-keto-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]picolinonitrile Formula: C20H18F3N5O MolecularWeight: 401.38503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC(=NC=C3)C#N

Isomeric SMILES

CC(C)CNC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC(=NC=C3)C#N

InChI

InChI=1S/C20H18F3N5O/c1-11(2)10-26-16-7-18-17(6-14(16)20(21,22)23)28-19(29)8-15(27-18)12-3-4-25-13(5-12)9-24/h3-7,11,26H,8,10H2,1-2H3,(H,28,29)