N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-1H-indole-3-carboxamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-1H-indole-3-carboxamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-1H-indole-3-carboxamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1H-indole-3-carboxamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1H-indole-3-carboxamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-1H-indole-3-carboxamide Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CNC2=CC=CC=C21

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C17H20N4O2/c1-11(2)9-15(17(23)19-8-7-18)21-16(22)13-10-20-14-6-4-3-5-12(13)14/h3-6,10-11,15,20H,8-9H2,1-2H3,(H,19,23)(H,21,22)/t15-/m0/s1