4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)pyridazin-3-one hydrochloride

Systemtic Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)pyridazin-3-one hydrochloride Openeye Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxy-phenyl)pyridazin-3-one hydrochloride CAS Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-pyridazinone hydrochloride IUPAC Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one hydrochloride Traditional Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxy-phenyl)pyridazin-3-one hydrochloride Formula: C20H27ClFN3O4 MolecularWeight: 427.897483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)CN(CCO)CCO)CC3CC3)F.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)CN(CCO)CCO)CC3CC3)F.Cl

InChI

InChI=1S/C20H26FN3O4.ClH/c1-28-19-5-4-15(10-17(19)21)18-11-16(13-23(6-8-25)7-9-26)20(27)24(22-18)12-14-2-3-14;/h4-5,10-11,14,25-26H,2-3,6-9,12-13H2,1H3;1H