N-(cyanomethyl)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanamide

Systemtic Name: N-(cyanomethyl)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanamide Openeye Name: N-(cyanomethyl)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanamide CAS Name: N-(cyanomethyl)-2-[[(2,6-dimethylanilino)-oxomethyl]amino]-3-(1H-indol-3-yl)propanamide IUPAC Name: N-(cyanomethyl)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanamide Traditional Name: N-(cyanomethyl)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propionamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-14-6-5-7-15(2)20(14)27-22(29)26-19(21(28)24-11-10-23)12-16-13-25-18-9-4-3-8-17(16)18/h3-9,13,19,25H,11-12H2,1-2H3,(H,24,28)(H2,26,27,29)