3-[1-(3-azanylpropyl)-2-methyl-indol-3-yl]-5-phenyl-1H-quinoxalin-2-one; ethanoic acid

Systemtic Name: 3-[1-(3-azanylpropyl)-2-methyl-indol-3-yl]-5-phenyl-1H-quinoxalin-2-one; ethanoic acid Openeye Name: acetic acid; 3-[1-(3-aminopropyl)-2-methyl-indol-3-yl]-5-phenyl-1H-quinoxalin-2-one CAS Name: acetic acid; 3-[1-(3-aminopropyl)-2-methyl-3-indolyl]-5-phenyl-1H-quinoxalin-2-one IUPAC Name: acetic acid; 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-5-phenyl-1H-quinoxalin-2-one Traditional Name: acetic acid; 3-[1-(3-aminopropyl)-2-methyl-indol-3-yl]-5-phenyl-1H-quinoxalin-2-one Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCCN)C3=NC4=C(C=CC=C4NC3=O)C5=CC=CC=C5.CC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCCN)C3=NC4=C(C=CC=C4NC3=O)C5=CC=CC=C5.CC(=O)O

InChI

InChI=1S/C26H24N4O.C2H4O2/c1-17-23(20-11-5-6-14-22(20)30(17)16-8-15-27)25-26(31)28-21-13-7-12-19(24(21)29-25)18-9-3-2-4-10-18;1-2(3)4/h2-7,9-14H,8,15-16,27H2,1H3,(H,28,31);1H3,(H,3,4)