tert-butyl 4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]carbonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]carbonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[oxo-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-[(4-keto-3H-phthalazin-1-yl)methyl]benzoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C26H30N4O4/c1-26(2,3)34-25(33)30-13-7-12-29(14-15-30)24(32)19-9-6-8-18(16-19)17-22-20-10-4-5-11-21(20)23(31)28-27-22/h4-6,8-11,16H,7,12-15,17H2,1-3H3,(H,28,31)