2-[1-(3-azanylpropyl)-7-ethyl-indol-3-yl]-4H-benzo[f]quinoxalin-3-one; ethanoic acid

Systemtic Name: 2-[1-(3-azanylpropyl)-7-ethyl-indol-3-yl]-4H-benzo[f]quinoxalin-3-one; ethanoic acid Openeye Name: acetic acid; 2-[1-(3-aminopropyl)-7-ethyl-indol-3-yl]-4H-benzo[f]quinoxalin-3-one CAS Name: acetic acid; 2-[1-(3-aminopropyl)-7-ethyl-3-indolyl]-4H-benzo[f]quinoxalin-3-one IUPAC Name: acetic acid; 2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-4H-benzo[f]quinoxalin-3-one Traditional Name: acetic acid; 2-[1-(3-aminopropyl)-7-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=CC=CC2=C1N(C=C2C3=NC4=C(C=CC5=CC=CC=C54)NC3=O)CCCN.CC(=O)O

Isomeric SMILES

CCC1=CC=CC2=C1N(C=C2C3=NC4=C(C=CC5=CC=CC=C54)NC3=O)CCCN.CC(=O)O

InChI

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