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

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-(5-nitropyridin-2-yl)indole-2-carboxamide Openeye Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-(5-nitro-2-pyridyl)indole-2-carboxamide CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-1-[(2-fluorophenyl)methyl]-N-(5-nitro-2-pyridinyl)-2-indolecarboxamide IUPAC Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-(5-nitropyridin-2-yl)indole-2-carboxamide Traditional Name: 5-(3,3-dimethylbutanoylamino)-1-(2-fluorobenzyl)-N-(5-nitro-2-pyridyl)indole-2-carboxamide Formula: C27H26FN5O4 MolecularWeight: 503.524843

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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=NC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4F

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN5O4/c1-27(2,3)14-25(34)30-19-8-10-22-18(12-19)13-23(32(22)16-17-6-4-5-7-21(17)28)26(35)31-24-11-9-20(15-29-24)33(36)37/h4-13,15H,14,16H2,1-3H3,(H,30,34)(H,29,31,35)