N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(phenethylcarbamoylamino)propanamide

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(phenethylcarbamoylamino)propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(phenethylcarbamoylamino)propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[oxo-(phenethylamino)methyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(phenethylcarbamoylamino)propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(phenethylcarbamoylamino)propionamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

InChI

InChI=1S/C22H23N5O2/c23-11-13-24-21(28)20(14-17-15-26-19-9-5-4-8-18(17)19)27-22(29)25-12-10-16-6-2-1-3-7-16/h1-9,15,20,26H,10,12-14H2,(H,24,28)(H2,25,27,29)