3-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one; ethanoic acid

Systemtic Name: 3-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one; ethanoic acid Openeye Name: acetic acid; 3-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one CAS Name: acetic acid; 3-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one IUPAC Name: acetic acid; 3-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one Traditional Name: acetic acid; 3-[5-[3-(aminomethyl)benzyl]-[1,3]dioxol[4,5-f]indol-7-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CCC2=CC3=C(C=C2C1)NC(=O)C(=N3)C4=CN(C5=CC6=C(C=C54)OCO6)CC7=CC(=CC=C7)CN

Isomeric SMILES

CC(=O)O.C1CCC2=CC3=C(C=C2C1)NC(=O)C(=N3)C4=CN(C5=CC6=C(C=C54)OCO6)CC7=CC(=CC=C7)CN

InChI

InChI=1S/C29H26N4O3.C2H4O2/c30-13-17-4-3-5-18(8-17)14-33-15-22(21-11-26-27(12-25(21)33)36-16-35-26)28-29(34)32-24-10-20-7-2-1-6-19(20)9-23(24)31-28;1-2(3)4/h3-5,8-12,15H,1-2,6-7,13-14,16,30H2,(H,32,34);1H3,(H,3,4)