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

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)methylcarbamoylamino]propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(m-tolylmethylcarbamoylamino)propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[[(3-methylphenyl)methylamino]-oxomethyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)methylcarbamoylamino]propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(3-methylbenzyl)carbamoylamino]propionamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

InChI

InChI=1S/C22H23N5O2/c1-15-5-4-6-16(11-15)13-26-22(29)27-20(21(28)24-10-9-23)12-17-14-25-19-8-3-2-7-18(17)19/h2-8,11,14,20,25H,10,12-13H2,1H3,(H,24,28)(H2,26,27,29)