2-[1-[(4-fluorophenyl)methyl]-7-oxidanidyl-pyrrolo[2,3-b]pyridin-7-ium-3-yl]-2-oxidanylidene-N-phenyl-ethanamide

Systemtic Name: 2-[1-[(4-fluorophenyl)methyl]-7-oxidanidyl-pyrrolo[2,3-b]pyridin-7-ium-3-yl]-2-oxidanylidene-N-phenyl-ethanamide Openeye Name: 2-[1-[(4-fluorophenyl)methyl]-7-oxido-pyrrolo[2,3-b]pyridin-7-ium-3-yl]-2-oxo-N-phenyl-acetamide CAS Name: 2-[1-[(4-fluorophenyl)methyl]-7-oxido-3-pyrrolo[2,3-b]pyridin-7-iumyl]-2-oxo-N-phenylacetamide IUPAC Name: 2-[1-[(4-fluorophenyl)methyl]-7-oxidopyrrolo[2,3-b]pyridin-7-ium-3-yl]-2-oxo-N-phenylacetamide Traditional Name: 2-[1-(4-fluorobenzyl)-7-oxido-pyrrolo[2,3-b]pyridin-7-ium-3-yl]-2-keto-N-phenyl-acetamide Formula: C22H16FN3O3 MolecularWeight: 389.379143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=C2C=CC=[N+]3[O-])CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=C2C=CC=[N+]3[O-])CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O3/c23-16-10-8-15(9-11-16)13-25-14-19(18-7-4-12-26(29)22(18)25)20(27)21(28)24-17-5-2-1-3-6-17/h1-12,14H,13H2,(H,24,28)