5-bromanyl-3-(3-phenylpropoxy)-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one hydrochloride

Systemtic Name: 5-bromanyl-3-(3-phenylpropoxy)-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one hydrochloride Openeye Name: 5-bromo-3-(3-phenylpropoxy)-4-(3-pyridylmethylamino)-1H-pyridazin-6-one hydrochloride CAS Name: 5-bromo-3-(3-phenylpropoxy)-4-(3-pyridinylmethylamino)-1H-pyridazin-6-one hydrochloride IUPAC Name: 5-bromo-3-(3-phenylpropoxy)-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one hydrochloride Traditional Name: 5-bromo-3-(3-phenylpropoxy)-4-(3-pyridylmethylamino)-1H-pyridazin-6-one hydrochloride Formula: C19H20BrClN4O2 MolecularWeight: 451.7447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=NNC(=O)C(=C2NCC3=CN=CC=C3)Br.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=NNC(=O)C(=C2NCC3=CN=CC=C3)Br.Cl

InChI

InChI=1S/C19H19BrN4O2.ClH/c20-16-17(22-13-15-8-4-10-21-12-15)19(24-23-18(16)25)26-11-5-9-14-6-2-1-3-7-14;/h1-4,6-8,10,12H,5,9,11,13H2,(H2,22,23,25);1H