2-[1-(3-azanylpropyl)-2-ethyl-indol-3-yl]-4H-benzo[f]quinoxalin-3-one; ethanoic acid

Systemtic Name: 2-[1-(3-azanylpropyl)-2-ethyl-indol-3-yl]-4H-benzo[f]quinoxalin-3-one; ethanoic acid Openeye Name: acetic acid; 2-[1-(3-aminopropyl)-2-ethyl-indol-3-yl]-4H-benzo[f]quinoxalin-3-one CAS Name: acetic acid; 2-[1-(3-aminopropyl)-2-ethyl-3-indolyl]-4H-benzo[f]quinoxalin-3-one IUPAC Name: acetic acid; 2-[1-(3-aminopropyl)-2-ethylindol-3-yl]-4H-benzo[f]quinoxalin-3-one Traditional Name: acetic acid; 2-[1-(3-aminopropyl)-2-ethyl-indol-3-yl]-4H-benzo[f]quinoxalin-3-one Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N1CCCN)C3=NC4=C(C=CC5=CC=CC=C54)NC3=O.CC(=O)O

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N1CCCN)C3=NC4=C(C=CC5=CC=CC=C54)NC3=O.CC(=O)O

InChI

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