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

Systemtic Name: 1-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: 1-(3-methyl-4-oxo-phthalazine-1-carbonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-4-phenyl-4-piperidinecarboxylate IUPAC Name: 1-(3-methyl-4-oxophthalazine-1-carbonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(4-keto-3-methyl-phthalazine-1-carbonyl)-4-phenyl-isonipecotate Formula: C22H20N3O4- MolecularWeight: 390.4119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)[O-]

InChI

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