1-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-(4-oxo-3-phenyl-phthalazine-1-carbonyl)-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-oxo-3-phenylphthalazine-1-carbonyl)-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-(4-keto-3-phenyl-phthalazine-1-carbonyl)-4-phenyl-isonipecotic acid Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4/c31-24-22-14-8-7-13-21(22)23(28-30(24)20-11-5-2-6-12-20)25(32)29-17-15-27(16-18-29,26(33)34)19-9-3-1-4-10-19/h1-14H,15-18H2,(H,33,34)