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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-oxo-2-(3-phenylpropylamino)ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(3-phenylpropylamino)ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-(3-phenylpropylamino)ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(3-phenylpropylamino)ethyl]phthalazine-1-carboxylate Formula: C20H18N3O4- MolecularWeight: 364.37462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C20H19N3O4/c24-17(21-12-6-9-14-7-2-1-3-8-14)13-23-19(25)16-11-5-4-10-15(16)18(22-23)20(26)27/h1-5,7-8,10-11H,6,9,12-13H2,(H,21,24)(H,26,27)/p-1