tert-butyl 3-[[(4-oxidanylidene-3H-phthalazin-1-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[(4-oxidanylidene-3H-phthalazin-1-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[(4-oxo-3H-phthalazin-1-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 3-[[(4-oxo-3H-phthalazin-1-yl)amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(4-oxo-3H-phthalazin-1-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 3-[[(4-keto-3H-phthalazin-1-yl)amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)23-10-6-7-13(12-23)11-20-16-14-8-4-5-9-15(14)17(24)22-21-16/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,21)(H,22,24)