N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-propyl-pentanamide

Systemtic Name: N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-propyl-pentanamide Openeye Name: N-[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-2-propyl-pentanamide CAS Name: N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-propylpentanamide IUPAC Name: N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-propylpentanamide Traditional Name: N-[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-2-propyl-valeramide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

Isomeric SMILES

CCCC(CCC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

InChI

InChI=1S/C21H28N4O2/c1-3-7-15(8-4-2)20(26)25-19(21(27)23-12-11-22)13-16-14-24-18-10-6-5-9-17(16)18/h5-6,9-10,14-15,19,24H,3-4,7-8,12-13H2,1-2H3,(H,23,27)(H,25,26)