5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-pyridin-4-yl-indole-2-carboxamide

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-pyridin-4-yl-indole-2-carboxamide Openeye Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-(4-pyridyl)indole-2-carboxamide CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-1-[(2-fluorophenyl)methyl]-N-pyridin-4-yl-2-indolecarboxamide IUPAC Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-pyridin-4-ylindole-2-carboxamide Traditional Name: 5-(3,3-dimethylbutanoylamino)-1-(2-fluorobenzyl)-N-(4-pyridyl)indole-2-carboxamide Formula: C27H27FN4O2 MolecularWeight: 458.527283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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