ethyl 1-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(3-benzyl-4-oxo-phthalazine-1-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzyl-4-oxophthalazine-1-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(3-benzyl-4-keto-phthalazine-1-carbonyl)isonipecotic acid ethyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4/c1-2-31-24(30)18-12-14-26(15-13-18)23(29)21-19-10-6-7-11-20(19)22(28)27(25-21)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3