N-[3-[[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[3-[[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[3-[[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[3-[[[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]amino]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[3-[[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[3-[[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl]carbamoyl]phenyl]-3-methyl-benzamide Formula: C26H30N4O3 MolecularWeight: 446.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC(CC3CCCCC3)C(=O)NCC#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC(CC3CCCCC3)C(=O)NCC#N

InChI

InChI=1S/C26H30N4O3/c1-18-7-5-10-20(15-18)24(31)29-22-12-6-11-21(17-22)25(32)30-23(26(33)28-14-13-27)16-19-8-3-2-4-9-19/h5-7,10-12,15,17,19,23H,2-4,8-9,14,16H2,1H3,(H,28,33)(H,29,31)(H,30,32)