N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: 2-(benzylcarbamoylamino)-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: 2-(benzylcarbamoylamino)-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide Traditional Name: 2-(benzylcarbamoylamino)-N-(cyanomethyl)-3-(1H-indol-3-yl)propionamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2/c22-10-11-23-20(27)19(12-16-14-24-18-9-5-4-8-17(16)18)26-21(28)25-13-15-6-2-1-3-7-15/h1-9,14,19,24H,11-13H2,(H,23,27)(H2,25,26,28)