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

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H21N3O4/c22-15(19-12-7-3-1-2-4-8-12)11-25-18(24)16-13-9-5-6-10-14(13)17(23)21-20-16/h5-6,9-10,12H,1-4,7-8,11H2,(H,19,22)(H,21,23)