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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxo-pyridazine-3-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-keto-pyridazine-3-carboxamide Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C21H19N3O4/c25-20-10-8-17(23-24(20)14-15-5-2-1-3-6-15)21(26)22-16-7-9-18-19(13-16)28-12-4-11-27-18/h1-3,5-10,13H,4,11-12,14H2,(H,22,26)