4-(7-fluoranylpyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(7-fluoranylpyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(7-fluoro-4-pyrrolo[1,2-a]quinoxalinyl)-N-[3-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-[3-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C24H24FN5OS MolecularWeight: 449.543663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCCN(CC2)C3=NC4=C(C=CC(=C4)F)N5C3=CC=C5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCCN(CC2)C3=NC4=C(C=CC(=C4)F)N5C3=CC=C5

InChI

InChI=1S/C24H24FN5OS/c1-32-19-6-2-5-18(16-19)26-24(31)29-11-4-10-28(13-14-29)23-22-7-3-12-30(22)21-9-8-17(25)15-20(21)27-23/h2-3,5-9,12,15-16H,4,10-11,13-14H2,1H3,(H,26,31)