1-[3-(4-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-(4-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(4-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-methoxyphenyl)-4-oxophthalazine-1-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-3-(4-methoxyphenyl)phthalazine-1-carbonyl]isonipecotamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H22N4O4/c1-30-16-8-6-15(7-9-16)26-21(28)18-5-3-2-4-17(18)19(24-26)22(29)25-12-10-14(11-13-25)20(23)27/h2-9,14H,10-13H2,1H3,(H2,23,27)