[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H19N3O4/c21-14(20-9-5-1-2-6-10-20)11-24-17(23)15-12-7-3-4-8-13(12)16(22)19-18-15/h3-4,7-8H,1-2,5-6,9-11H2,(H,19,22)