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

Systemtic Name: N-(cyanomethyl)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanamide Openeye Name: N-(cyanomethyl)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanamide CAS Name: N-(cyanomethyl)-2-[[[(2-fluorophenyl)methylamino]-oxomethyl]amino]-3-(1H-indol-3-yl)propanamide IUPAC Name: N-(cyanomethyl)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanamide Traditional Name: N-(cyanomethyl)-2-[(2-fluorobenzyl)carbamoylamino]-3-(1H-indol-3-yl)propionamide Formula: C21H20FN5O2 MolecularWeight: 393.414203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O2/c22-17-7-3-1-5-14(17)12-26-21(29)27-19(20(28)24-10-9-23)11-15-13-25-18-8-4-2-6-16(15)18/h1-8,13,19,25H,10-12H2,(H,24,28)(H2,26,27,29)