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

Systemtic Name: 7-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3C(=O)O)OCCCO4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3C(=O)O)OCCCO4

InChI

InChI=1S/C22H21N3O6/c1-12(2)25-21(27)14-7-4-3-6-13(14)19(24-25)20(26)23-16-11-18-17(10-15(16)22(28)29)30-8-5-9-31-18/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,23,26)(H,28,29)