9-[1-(4-azanylbutyl)indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one; ethanoic acid

Systemtic Name: 9-[1-(4-azanylbutyl)indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one; ethanoic acid Openeye Name: acetic acid; 9-[1-(4-aminobutyl)indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one CAS Name: acetic acid; 9-[1-(4-aminobutyl)-3-indolyl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one IUPAC Name: acetic acid; 9-[1-(4-aminobutyl)indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one Traditional Name: acetic acid; 9-[1-(4-aminobutyl)indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1COC2=C(O1)C=CC3=C2N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CCCCN

Isomeric SMILES

CC(=O)O.C1COC2=C(O1)C=CC3=C2N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CCCCN

InChI

InChI=1S/C22H22N4O3.C2H4O2/c23-9-3-4-10-26-13-15(14-5-1-2-6-17(14)26)19-22(27)24-16-7-8-18-21(20(16)25-19)29-12-11-28-18;1-2(3)4/h1-2,5-8,13H,3-4,9-12,23H2,(H,24,27);1H3,(H,3,4)