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

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(2-methylphenyl)carbamoylamino]propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(o-tolylcarbamoylamino)propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[(2-methylanilino)-oxomethyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(2-methylphenyl)carbamoylamino]propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(o-tolylcarbamoylamino)propionamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

InChI

InChI=1S/C21H21N5O2/c1-14-6-2-4-8-17(14)25-21(28)26-19(20(27)23-11-10-22)12-15-13-24-18-9-5-3-7-16(15)18/h2-9,13,19,24H,11-12H2,1H3,(H,23,27)(H2,25,26,28)