4-(4-chlorophenyl)-2-(3-oxidanylpropoxy)-5-(pyridin-3-ylmethylamino)pyridazin-3-one hydrochloride

Systemtic Name: 4-(4-chlorophenyl)-2-(3-oxidanylpropoxy)-5-(pyridin-3-ylmethylamino)pyridazin-3-one hydrochloride Openeye Name: 4-(4-chlorophenyl)-2-(3-hydroxypropoxy)-5-(3-pyridylmethylamino)pyridazin-3-one hydrochloride CAS Name: 4-(4-chlorophenyl)-2-(3-hydroxypropoxy)-5-(3-pyridinylmethylamino)-3-pyridazinone hydrochloride IUPAC Name: 4-(4-chlorophenyl)-2-(3-hydroxypropoxy)-5-(pyridin-3-ylmethylamino)pyridazin-3-one hydrochloride Traditional Name: 4-(4-chlorophenyl)-2-(3-hydroxypropoxy)-5-(3-pyridylmethylamino)pyridazin-3-one hydrochloride Formula: C19H20Cl2N4O3 MolecularWeight: 423.2931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=O)N(N=C2)OCCCO)C3=CC=C(C=C3)Cl.Cl

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=O)N(N=C2)OCCCO)C3=CC=C(C=C3)Cl.Cl

InChI

InChI=1S/C19H19ClN4O3.ClH/c20-16-6-4-15(5-7-16)18-17(22-12-14-3-1-8-21-11-14)13-23-24(19(18)26)27-10-2-9-25;/h1,3-8,11,13,22,25H,2,9-10,12H2;1H