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

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-methyl-5-(propylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-methyl-5-(propylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-methyl-5-[[oxo(propylamino)methyl]amino]-3-pyrrolo[2,3-b]pyridinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-methyl-5-(propylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-methyl-5-(propylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C20H22FN5O2 MolecularWeight: 383.419383

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CN=C2C(=C1)C(=CN2C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCNC(=O)NC1=CN=C2C(=C1)C(=CN2C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN5O2/c1-3-8-22-20(28)25-15-9-16-17(12-26(2)18(16)23-11-15)19(27)24-10-13-4-6-14(21)7-5-13/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,24,27)(H2,22,25,28)