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

Systemtic Name: 2-azanyl-N-[2-(4-fluorophenyl)ethyl]-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-[2-(4-fluorophenyl)ethyl]-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[2-(4-fluorophenyl)ethyl]-1-hexyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[2-(4-fluorophenyl)ethyl]-1-hexylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-[2-(4-fluorophenyl)ethyl]-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H28FN5O MolecularWeight: 433.521123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCCC4=CC=C(C=C4)F)N

Isomeric SMILES

CCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCCC4=CC=C(C=C4)F)N

InChI

InChI=1S/C25H28FN5O/c1-2-3-4-7-16-31-23(27)21(22-24(31)30-20-9-6-5-8-19(20)29-22)25(32)28-15-14-17-10-12-18(26)13-11-17/h5-6,8-13H,2-4,7,14-16,27H2,1H3,(H,28,32)