(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H21N3O4/c26-20-17-12-6-5-11-16(17)18(23-24-20)22(28)29-19(15-9-3-1-4-10-15)21(27)25-13-7-2-8-14-25/h1,3-6,9-12,19H,2,7-8,13-14H2,(H,24,26)