2-[5-[2-[2-(1H-indol-3-yl)propan-2-ylamino]ethanoyl]-2-oxidanyl-phenyl]ethanenitrile

Systemtic Name: 2-[5-[2-[2-(1H-indol-3-yl)propan-2-ylamino]ethanoyl]-2-oxidanyl-phenyl]ethanenitrile Openeye Name: 2-[2-hydroxy-5-[2-[[1-(1H-indol-3-yl)-1-methyl-ethyl]amino]acetyl]phenyl]acetonitrile CAS Name: 2-[2-hydroxy-5-[2-[2-(1H-indol-3-yl)propan-2-ylamino]-1-oxoethyl]phenyl]acetonitrile IUPAC Name: 2-[2-hydroxy-5-[2-[2-(1H-indol-3-yl)propan-2-ylamino]acetyl]phenyl]acetonitrile Traditional Name: 2-[2-hydroxy-5-[2-[[1-(1H-indol-3-yl)-1-methyl-ethyl]amino]acetyl]phenyl]acetonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CNC2=CC=CC=C21)NCC(=O)C3=CC(=C(C=C3)O)CC#N

Isomeric SMILES

CC(C)(C1=CNC2=CC=CC=C21)NCC(=O)C3=CC(=C(C=C3)O)CC#N

InChI

InChI=1S/C21H21N3O2/c1-21(2,17-12-23-18-6-4-3-5-16(17)18)24-13-20(26)14-7-8-19(25)15(11-14)9-10-22/h3-8,11-12,23-25H,9,13H2,1-2H3