2-azanyl-1-butyl-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-butyl-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-butyl-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-butyl-N-[(4-fluorophenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-butyl-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-butyl-N-(4-fluorobenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)F)N

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)F)N

InChI

InChI=1S/C22H22FN5O/c1-2-3-12-28-20(24)18(22(29)25-13-14-8-10-15(23)11-9-14)19-21(28)27-17-7-5-4-6-16(17)26-19/h4-11H,2-3,12-13,24H2,1H3,(H,25,29)