7-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one; ethanoic acid

Systemtic Name: 7-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one; ethanoic acid Openeye Name: acetic acid; 7-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one CAS Name: acetic acid; 7-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one IUPAC Name: acetic acid; 7-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one Traditional Name: acetic acid; 7-[5-[3-(aminomethyl)benzyl]-[1,3]dioxol[4,5-f]indol-7-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one Formula: C28H24N4O7 MolecularWeight: 528.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1OC2=C(O1)C=C3C(=C2)C(=CN3CC4=CC(=CC=C4)CN)C5=NC6=CC7=C(C=C6NC5=O)OCO7

Isomeric SMILES

CC(=O)O.C1OC2=C(O1)C=C3C(=C2)C(=CN3CC4=CC(=CC=C4)CN)C5=NC6=CC7=C(C=C6NC5=O)OCO7

InChI

InChI=1S/C26H20N4O5.C2H4O2/c27-9-14-2-1-3-15(4-14)10-30-11-17(16-5-21-24(8-20(16)30)35-12-32-21)25-26(31)29-19-7-23-22(33-13-34-23)6-18(19)28-25;1-2(3)4/h1-8,11H,9-10,12-13,27H2,(H,29,31);1H3,(H,3,4)