2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide Openeye Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide IUPAC Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide Traditional Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-(cyanomethyl)-3-(1H-indol-3-yl)propionamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC#N

InChI

InChI=1S/C21H19N5O4/c22-7-8-23-20(27)17(9-13-11-24-16-4-2-1-3-15(13)16)26-21(28)25-14-5-6-18-19(10-14)30-12-29-18/h1-6,10-11,17,24H,8-9,12H2,(H,23,27)(H2,25,26,28)