N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanamide

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(1,1,3,3-tetramethylbutylcarbamoylamino)propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[oxo-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(1,1,3,3-tetramethylbutylcarbamoylamino)propionamide Formula: C22H31N5O2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

InChI

InChI=1S/C22H31N5O2/c1-21(2,3)14-22(4,5)27-20(29)26-18(19(28)24-11-10-23)12-15-13-25-17-9-7-6-8-16(15)17/h6-9,13,18,25H,11-12,14H2,1-5H3,(H,24,28)(H2,26,27,29)