4-oxidanylidene-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]phthalazine-1-carboxylate Openeye Name: 3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1-phthalazinecarboxylate IUPAC Name: 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(4-benzylpiperidino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C23H22N3O4- MolecularWeight: 404.43848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C23H23N3O4/c27-20(25-12-10-17(11-13-25)14-16-6-2-1-3-7-16)15-26-22(28)19-9-5-4-8-18(19)21(24-26)23(29)30/h1-9,17H,10-15H2,(H,29,30)/p-1