tert-butyl 2-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCCN3C(=O)OC(C)(C)C

InChI

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