3-[1-(3-azanylpropyl)-2-ethyl-indol-3-yl]-1H-benzo[g]quinoxalin-2-one; ethanoic acid

Systemtic Name: 3-[1-(3-azanylpropyl)-2-ethyl-indol-3-yl]-1H-benzo[g]quinoxalin-2-one; ethanoic acid Openeye Name: acetic acid; 3-[1-(3-aminopropyl)-2-ethyl-indol-3-yl]-1H-benzo[g]quinoxalin-2-one CAS Name: acetic acid; 3-[1-(3-aminopropyl)-2-ethyl-3-indolyl]-1H-benzo[g]quinoxalin-2-one IUPAC Name: acetic acid; 3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-1H-benzo[g]quinoxalin-2-one Traditional Name: acetic acid; 3-[1-(3-aminopropyl)-2-ethyl-indol-3-yl]-1H-benzo[g]quinoxalin-2-one Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N1CCCN)C3=NC4=CC5=CC=CC=C5C=C4NC3=O.CC(=O)O

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N1CCCN)C3=NC4=CC5=CC=CC=C5C=C4NC3=O.CC(=O)O

InChI

InChI=1S/C25H24N4O.C2H4O2/c1-2-21-23(18-10-5-6-11-22(18)29(21)13-7-12-26)24-25(30)28-20-15-17-9-4-3-8-16(17)14-19(20)27-24;1-2(3)4/h3-6,8-11,14-15H,2,7,12-13,26H2,1H3,(H,28,30);1H3,(H,3,4)