N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-[4-(methylcarbamoylamino)but-1-ynyl]benzamide

Systemtic Name: N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-[4-(methylcarbamoylamino)but-1-ynyl]benzamide Openeye Name: N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-3-[4-(methylcarbamoylamino)but-1-ynyl]benzamide CAS Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-[4-(methylcarbamoylamino)but-1-ynyl]benzamide IUPAC Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-[4-(methylcarbamoylamino)but-1-ynyl]benzamide Traditional Name: N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-3-[4-(methylcarbamoylamino)but-1-ynyl]benzamide Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NCCC#CC1=CC(=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)CO

Isomeric SMILES

CNC(=O)NCCC#CC1=CC(=CC=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)CO

InChI

InChI=1S/C24H26N4O3/c1-25-24(31)26-12-5-4-7-17-8-6-9-18(13-17)23(30)28-20(16-29)14-19-15-27-22-11-3-2-10-21(19)22/h2-3,6,8-11,13,15,20,27,29H,5,12,14,16H2,1H3,(H,28,30)(H2,25,26,31)/t20-/m1/s1