5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-pyridin-3-yl-indole-2-carboxamide

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-pyridin-3-yl-indole-2-carboxamide Openeye Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-(3-pyridyl)indole-2-carboxamide CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-1-[(2-fluorophenyl)methyl]-N-(3-pyridinyl)-2-indolecarboxamide IUPAC Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-pyridin-3-ylindole-2-carboxamide Traditional Name: 5-(3,3-dimethylbutanoylamino)-1-(2-fluorobenzyl)-N-(3-pyridyl)indole-2-carboxamide Formula: C27H27FN4O2 MolecularWeight: 458.527283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CN=CC=C3)CC4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CN=CC=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C27H27FN4O2/c1-27(2,3)15-25(33)30-20-10-11-23-19(13-20)14-24(26(34)31-21-8-6-12-29-16-21)32(23)17-18-7-4-5-9-22(18)28/h4-14,16H,15,17H2,1-3H3,(H,30,33)(H,31,34)