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

Systemtic Name: 5-(butanoylamino)-N-[(2-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: 5-(butanoylamino)-N-[(2-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-5-(1-oxobutylamino)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide IUPAC Name: 5-(butanoylamino)-N-[(2-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: 5-butyramido-N-o-anisyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CN=C2C(=C1)C(=CN2)C(=O)NCC3=CC=CC=C3OC

Isomeric SMILES

CCCC(=O)NC1=CN=C2C(=C1)C(=CN2)C(=O)NCC3=CC=CC=C3OC

InChI

InChI=1S/C20H22N4O3/c1-3-6-18(25)24-14-9-15-16(12-22-19(15)21-11-14)20(26)23-10-13-7-4-5-8-17(13)27-2/h4-5,7-9,11-12H,3,6,10H2,1-2H3,(H,21,22)(H,23,26)(H,24,25)