[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O4/c34-26(30-22-13-15-23(16-14-22)32-17-7-2-8-18-32)20-37-29(36)27-24-11-5-6-12-25(24)28(35)33(31-27)19-21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-20H2,(H,30,34)