N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-phenylazanyl-benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]benzamide CAS Name: 4-anilino-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide IUPAC Name: 4-anilino-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide Traditional Name: 4-anilino-N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]benzamide Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C21H24N4O2/c1-15(2)14-19(21(27)23-13-12-22)25-20(26)16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-11,15,19,24H,13-14H2,1-2H3,(H,23,27)(H,25,26)