1-(cyanomethylcarbamoyl)-3-pentan-2-yl-1-(phenylmethyl)urea

Systemtic Name: 1-(cyanomethylcarbamoyl)-3-pentan-2-yl-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(cyanomethylcarbamoyl)-3-(1-methylbutyl)urea CAS Name: 1-[(cyanomethylamino)-oxomethyl]-3-pentan-2-yl-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-(cyanomethylcarbamoyl)-3-pentan-2-ylurea Traditional Name: 1-benzyl-1-(cyanomethylcarbamoyl)-3-(1-methylbutyl)urea Formula: C16H22N4O2 MolecularWeight: 302.37148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)N(CC1=CC=CC=C1)C(=O)NCC#N

Isomeric SMILES

CCCC(C)NC(=O)N(CC1=CC=CC=C1)C(=O)NCC#N

InChI

InChI=1S/C16H22N4O2/c1-3-7-13(2)19-16(22)20(15(21)18-11-10-17)12-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,11-12H2,1-2H3,(H,18,21)(H,19,22)