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

Systemtic Name: 5-(butanoylamino)-N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: 5-(butanoylamino)-N-(m-tolylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: N-[(3-methylphenyl)methyl]-5-(1-oxobutylamino)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide IUPAC Name: 5-(butanoylamino)-N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: 5-butyramido-N-(3-methylbenzyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-3-5-18(25)24-15-9-16-17(12-22-19(16)21-11-15)20(26)23-10-14-7-4-6-13(2)8-14/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,21,22)(H,23,26)(H,24,25)