1-(2-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-4-oxo-3-pyridazinecarboxamide IUPAC Name: 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-4-oxopyridazine-3-carboxamide Traditional Name: 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-6-methyl-pyridazine-3-carboxamide Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H18ClN3O4/c1-13-11-17(26)20(24-25(13)16-6-3-2-5-15(16)22)21(27)23-14-7-8-18-19(12-14)29-10-4-9-28-18/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,23,27)