N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(imidazol-1-ylmethyl)benzamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(imidazol-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(imidazol-1-ylmethyl)benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(1-imidazolylmethyl)benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(imidazol-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(imidazol-1-ylmethyl)benzamide Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)CN2C=CN=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)CN2C=CN=C2

InChI

InChI=1S/C19H23N5O2/c1-14(2)11-17(19(26)22-8-7-20)23-18(25)16-5-3-15(4-6-16)12-24-10-9-21-13-24/h3-6,9-10,13-14,17H,8,11-12H2,1-2H3,(H,22,26)(H,23,25)/t17-/m0/s1