N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)methylcarbamoylamino]propanamide

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)methylcarbamoylamino]propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(p-tolylmethylcarbamoylamino)propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[[(4-methylphenyl)methylamino]-oxomethyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)methylcarbamoylamino]propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-methylbenzyl)carbamoylamino]propionamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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