9-[1-[[6-(aminomethyl)pyridin-2-yl]methyl]indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one; ethanoic acid

Systemtic Name: 9-[1-[[6-(aminomethyl)pyridin-2-yl]methyl]indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one; ethanoic acid Openeye Name: acetic acid; 9-[1-[[6-(aminomethyl)-2-pyridyl]methyl]indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one CAS Name: acetic acid; 9-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]-3-indolyl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one IUPAC Name: acetic acid; 9-[1-[[6-(aminomethyl)pyridin-2-yl]methyl]indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one Traditional Name: acetic acid; 9-[1-[[6-(aminomethyl)-2-pyridyl]methyl]indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one Formula: C27H25N5O5 MolecularWeight: 499.5179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1COC2=C(O1)C=CC3=C2N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CC6=NC(=CC=C6)CN

Isomeric SMILES

CC(=O)O.C1COC2=C(O1)C=CC3=C2N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CC6=NC(=CC=C6)CN

InChI

InChI=1S/C25H21N5O3.C2H4O2/c26-12-15-4-3-5-16(27-15)13-30-14-18(17-6-1-2-7-20(17)30)22-25(31)28-19-8-9-21-24(23(19)29-22)33-11-10-32-21;1-2(3)4/h1-9,14H,10-13,26H2,(H,28,31);1H3,(H,3,4)