2-[1-(3-azanylpropyl)-5-bromanyl-indol-3-yl]-4H-benzo[f]quinoxalin-3-one; ethanoic acid

Systemtic Name: 2-[1-(3-azanylpropyl)-5-bromanyl-indol-3-yl]-4H-benzo[f]quinoxalin-3-one; ethanoic acid Openeye Name: acetic acid; 2-[1-(3-aminopropyl)-5-bromo-indol-3-yl]-4H-benzo[f]quinoxalin-3-one CAS Name: acetic acid; 2-[1-(3-aminopropyl)-5-bromo-3-indolyl]-4H-benzo[f]quinoxalin-3-one IUPAC Name: acetic acid; 2-[1-(3-aminopropyl)-5-bromoindol-3-yl]-4H-benzo[f]quinoxalin-3-one Traditional Name: acetic acid; 2-[1-(3-aminopropyl)-5-bromo-indol-3-yl]-4H-benzo[f]quinoxalin-3-one Formula: C25H23BrN4O3 MolecularWeight: 507.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C=CC3=C2N=C(C(=O)N3)C4=CN(C5=C4C=C(C=C5)Br)CCCN

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C=CC3=C2N=C(C(=O)N3)C4=CN(C5=C4C=C(C=C5)Br)CCCN

InChI

InChI=1S/C23H19BrN4O.C2H4O2/c24-15-7-9-20-17(12-15)18(13-28(20)11-3-10-25)22-23(29)26-19-8-6-14-4-1-2-5-16(14)21(19)27-22;1-2(3)4/h1-2,4-9,12-13H,3,10-11,25H2,(H,26,29);1H3,(H,3,4)