N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-fluorophenyl)-4-keto-6-methyl-pyridazine-3-carboxamide Formula: C22H19ClFN3O4 MolecularWeight: 443.855363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H19ClFN3O4/c1-13-9-18(28)20(26-27(13)17-6-3-2-5-16(17)24)22(29)25-12-14-10-15(23)21-19(11-14)30-7-4-8-31-21/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,25,29)