8-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one; ethanoic acid

Systemtic Name: 8-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one; ethanoic acid Openeye Name: acetic acid; 8-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one CAS Name: acetic acid; 8-[1-[[3-(aminomethyl)phenyl]methyl]-3-indolyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one IUPAC Name: acetic acid; 8-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one Traditional Name: acetic acid; 8-[1-[3-(aminomethyl)benzyl]indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one Formula: C28H26N4O5 MolecularWeight: 498.52984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1COC2=C(O1)C=C3C(=C2)N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CC6=CC(=CC=C6)CN

Isomeric SMILES

CC(=O)O.C1COC2=C(O1)C=C3C(=C2)N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CC6=CC(=CC=C6)CN

InChI

InChI=1S/C26H22N4O3.C2H4O2/c27-13-16-4-3-5-17(10-16)14-30-15-19(18-6-1-2-7-22(18)30)25-26(31)29-21-12-24-23(11-20(21)28-25)32-8-9-33-24;1-2(3)4/h1-7,10-12,15H,8-9,13-14,27H2,(H,29,31);1H3,(H,3,4)