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

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]quinoline-2-carboxamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]quinaldamide Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H20N4O2/c1-12(2)11-16(17(23)20-10-9-19)22-18(24)15-8-7-13-5-3-4-6-14(13)21-15/h3-8,12,16H,10-11H2,1-2H3,(H,20,23)(H,22,24)/t16-/m0/s1