3-[1-(4-azanylbutyl)indol-3-yl]-7-phenyl-1H-quinoxalin-2-one; ethanoic acid

Systemtic Name: 3-[1-(4-azanylbutyl)indol-3-yl]-7-phenyl-1H-quinoxalin-2-one; ethanoic acid Openeye Name: acetic acid; 3-[1-(4-aminobutyl)indol-3-yl]-7-phenyl-1H-quinoxalin-2-one CAS Name: acetic acid; 3-[1-(4-aminobutyl)-3-indolyl]-7-phenyl-1H-quinoxalin-2-one IUPAC Name: acetic acid; 3-[1-(4-aminobutyl)indol-3-yl]-7-phenyl-1H-quinoxalin-2-one Traditional Name: acetic acid; 3-[1-(4-aminobutyl)indol-3-yl]-7-phenyl-1H-quinoxalin-2-one Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CCCCN

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CCCCN

InChI

InChI=1S/C26H24N4O.C2H4O2/c27-14-6-7-15-30-17-21(20-10-4-5-11-24(20)30)25-26(31)29-23-16-19(12-13-22(23)28-25)18-8-2-1-3-9-18;1-2(3)4/h1-5,8-13,16-17H,6-7,14-15,27H2,(H,29,31);1H3,(H,3,4)