2-[1-[[6-(aminomethyl)pyridin-2-yl]methyl]indol-3-yl]-4H-benzo[f]quinoxalin-3-one; ethanoic acid

Systemtic Name: 2-[1-[[6-(aminomethyl)pyridin-2-yl]methyl]indol-3-yl]-4H-benzo[f]quinoxalin-3-one; ethanoic acid Openeye Name: acetic acid; 2-[1-[[6-(aminomethyl)-2-pyridyl]methyl]indol-3-yl]-4H-benzo[f]quinoxalin-3-one CAS Name: acetic acid; 2-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]-3-indolyl]-4H-benzo[f]quinoxalin-3-one IUPAC Name: acetic acid; 2-[1-[[6-(aminomethyl)pyridin-2-yl]methyl]indol-3-yl]-4H-benzo[f]quinoxalin-3-one Traditional Name: acetic acid; 2-[1-[[6-(aminomethyl)-2-pyridyl]methyl]indol-3-yl]-4H-benzo[f]quinoxalin-3-one Formula: C29H25N5O3 MolecularWeight: 491.5405

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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=CC=CC=C54)CC6=NC(=CC=C6)CN

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C=CC3=C2N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CC6=NC(=CC=C6)CN

InChI

InChI=1S/C27H21N5O.C2H4O2/c28-14-18-7-5-8-19(29-18)15-32-16-22(21-10-3-4-11-24(21)32)26-27(33)30-23-13-12-17-6-1-2-9-20(17)25(23)31-26;1-2(3)4/h1-13,16H,14-15,28H2,(H,30,33);1H3,(H,3,4)