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

Systemtic Name: 1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-pyridin-3-yl-pentane-2,4-dione hydrochloride Openeye Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(3-pyridyl)pentane-2,4-dione hydrochloride CAS Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(3-pyridinyl)pentane-2,4-dione hydrochloride IUPAC Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-pyridin-3-ylpentane-2,4-dione hydrochloride Traditional Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(3-pyridyl)pentane-2,4-dione hydrochloride Formula: C20H27ClN4O2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)C(CCCCN)(C(=O)CC2=CN=CC=C2)N)N.Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)C(CCCCN)(C(=O)CC2=CN=CC=C2)N)N.Cl

InChI

InChI=1S/C20H26N4O2.ClH/c21-10-4-3-9-20(23,18(25)12-15-6-5-11-24-14-15)19(26)13-16-7-1-2-8-17(16)22;/h1-2,5-8,11,14H,3-4,9-10,12-13,21-23H2;1H