methyl 1-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(4-oxo-3-phenyl-phthalazine-1-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-oxo-3-phenylphthalazine-1-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-keto-3-phenyl-phthalazine-1-carbonyl)isonipecotic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c1-29-22(28)15-11-13-24(14-12-15)21(27)19-17-9-5-6-10-18(17)20(26)25(23-19)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3