7-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(1-benzyl-6-oxo-pyridazine-3-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(1-benzyl-6-keto-pyridazine-3-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O6/c26-20-8-7-16(24-25(20)13-14-5-2-1-3-6-14)21(27)23-17-12-19-18(11-15(17)22(28)29)30-9-4-10-31-19/h1-3,5-8,11-12H,4,9-10,13H2,(H,23,27)(H,28,29)