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

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]quinoxaline-2-carboxamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]quinoxaline-2-carboxamide Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=NC2=CC=CC=C2N=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C17H19N5O2/c1-11(2)9-14(16(23)19-8-7-18)22-17(24)15-10-20-12-5-3-4-6-13(12)21-15/h3-6,10-11,14H,8-9H2,1-2H3,(H,19,23)(H,22,24)/t14-/m0/s1