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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)F)N

Isomeric SMILES

CC(C)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)F)N

InChI

InChI=1S/C22H22FN5O/c1-13(2)12-28-20(24)18(22(29)25-11-14-7-9-15(23)10-8-14)19-21(28)27-17-6-4-3-5-16(17)26-19/h3-10,13H,11-12,24H2,1-2H3,(H,25,29)