tert-butyl 4-[6-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pyridin-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pyridin-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-[(4-oxo-3H-phthalazin-1-yl)methyl]pyridine-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[6-[(4-oxo-3H-phthalazin-1-yl)methyl]-2-pyridinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[(4-oxo-3H-phthalazin-1-yl)methyl]pyridine-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-[(4-keto-3H-phthalazin-1-yl)methyl]picolinoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C24H27N5O4/c1-24(2,3)33-23(32)29-13-11-28(12-14-29)22(31)19-10-6-7-16(25-19)15-20-17-8-4-5-9-18(17)21(30)27-26-20/h4-10H,11-15H2,1-3H3,(H,27,30)