tert-butyl 4-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N5O5/c1-5-27-20(30)16-9-7-6-8-15(16)17(25-27)19(29)24-23-18(28)14-10-12-26(13-11-14)21(31)32-22(2,3)4/h6-9,14H,5,10-13H2,1-4H3,(H,23,28)(H,24,29)