5-(butanoylamino)-N-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

Systemtic Name: 5-(butanoylamino)-N-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: 5-(butanoylamino)-N-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-5-(1-oxobutylamino)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide IUPAC Name: 5-(butanoylamino)-N-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: 5-butyramido-N-(4-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C19H19FN4O2 MolecularWeight: 354.378163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CN=C2C(=C1)C(=CN2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCC(=O)NC1=CN=C2C(=C1)C(=CN2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN4O2/c1-2-3-17(25)24-14-8-15-16(11-22-18(15)21-10-14)19(26)23-9-12-4-6-13(20)7-5-12/h4-8,10-11H,2-3,9H2,1H3,(H,21,22)(H,23,26)(H,24,25)