1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-(5-fluoranyl-1H-indol-3-yl)pentane-2,4-dione hydrochloride

Systemtic Name: 1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-(5-fluoranyl-1H-indol-3-yl)pentane-2,4-dione hydrochloride Openeye Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(5-fluoro-1H-indol-3-yl)pentane-2,4-dione hydrochloride CAS Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(5-fluoro-1H-indol-3-yl)pentane-2,4-dione hydrochloride IUPAC Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(5-fluoro-1H-indol-3-yl)pentane-2,4-dione hydrochloride Traditional Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(5-fluoro-1H-indol-3-yl)pentane-2,4-dione hydrochloride Formula: C23H28ClFN4O2 MolecularWeight: 446.945423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)C(CCCCN)(C(=O)CC2=CNC3=C2C=C(C=C3)F)N)N.Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)C(CCCCN)(C(=O)CC2=CNC3=C2C=C(C=C3)F)N)N.Cl

InChI

InChI=1S/C23H27FN4O2.ClH/c24-17-7-8-20-18(13-17)16(14-28-20)12-22(30)23(27,9-3-4-10-25)21(29)11-15-5-1-2-6-19(15)26;/h1-2,5-8,13-14,28H,3-4,9-12,25-27H2;1H