N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C21H17F3N4O2 MolecularWeight: 414.38049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC#N)NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC#N)NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O2/c22-21(23,24)15-5-3-4-13(10-15)19(29)28-18(20(30)26-9-8-25)11-14-12-27-17-7-2-1-6-16(14)17/h1-7,10,12,18,27H,9,11H2,(H,26,30)(H,28,29)