tert-butyl N-[[4-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[3-(4-oxo-3H-phthalazin-1-yl)anilino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[3-(4-keto-3H-phthalazin-1-yl)phenyl]carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C27H26N4O4/c1-27(2,3)35-26(34)28-16-17-11-13-18(14-12-17)24(32)29-20-8-6-7-19(15-20)23-21-9-4-5-10-22(21)25(33)31-30-23/h4-15H,16H2,1-3H3,(H,28,34)(H,29,32)(H,31,33)