8-[1-(3-azanylpropyl)-2-(4-chlorophenyl)indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one; ethanoic acid

Systemtic Name: 8-[1-(3-azanylpropyl)-2-(4-chlorophenyl)indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one; ethanoic acid Openeye Name: acetic acid; 8-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one CAS Name: acetic acid; 8-[1-(3-aminopropyl)-2-(4-chlorophenyl)-3-indolyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one IUPAC Name: acetic acid; 8-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one Traditional Name: acetic acid; 8-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one Formula: C29H27ClN4O5 MolecularWeight: 547.00148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1COC2=C(O1)C=C3C(=C2)N=C(C(=O)N3)C4=C(N(C5=CC=CC=C54)CCCN)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC(=O)O.C1COC2=C(O1)C=C3C(=C2)N=C(C(=O)N3)C4=C(N(C5=CC=CC=C54)CCCN)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H23ClN4O3.C2H4O2/c28-17-8-6-16(7-9-17)26-24(18-4-1-2-5-21(18)32(26)11-3-10-29)25-27(33)31-20-15-23-22(14-19(20)30-25)34-12-13-35-23;1-2(3)4/h1-2,4-9,14-15H,3,10-13,29H2,(H,31,33);1H3,(H,3,4)