6-[[5-chloranyl-2-(cyclopropylmethoxy)phenyl]methyl-ethyl-amino]-N-(trifluoromethylsulfonyl)pyridazine-3-carboxamide

Systemtic Name: 6-[[5-chloranyl-2-(cyclopropylmethoxy)phenyl]methyl-ethyl-amino]-N-(trifluoromethylsulfonyl)pyridazine-3-carboxamide Openeye Name: 6-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-ethyl-amino]-N-(trifluoromethylsulfonyl)pyridazine-3-carboxamide CAS Name: 6-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-ethylamino]-N-(trifluoromethylsulfonyl)-3-pyridazinecarboxamide IUPAC Name: 6-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-ethylamino]-N-(trifluoromethylsulfonyl)pyridazine-3-carboxamide Traditional Name: 6-[[5-chloro-2-(cyclopropylmethoxy)benzyl]-ethyl-amino]-N-triflyl-pyridazine-3-carboxamide Formula: C19H20ClF3N4O4S MolecularWeight: 492.89971

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Cl)OCC2CC2)C3=NN=C(C=C3)C(=O)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Cl)OCC2CC2)C3=NN=C(C=C3)C(=O)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H20ClF3N4O4S/c1-2-27(10-13-9-14(20)5-7-16(13)31-11-12-3-4-12)17-8-6-15(24-25-17)18(28)26-32(29,30)19(21,22)23/h5-9,12H,2-4,10-11H2,1H3,(H,26,28)