tert-butyl N-[3-(6-bromanyl-1-oxidanylidene-phthalazin-2-yl)propyl]carbamate

Systemtic Name: tert-butyl N-[3-(6-bromanyl-1-oxidanylidene-phthalazin-2-yl)propyl]carbamate Openeye Name: tert-butyl N-[3-(6-bromo-1-oxo-phthalazin-2-yl)propyl]carbamate CAS Name: N-[3-(6-bromo-1-oxo-2-phthalazinyl)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(6-bromo-1-oxophthalazin-2-yl)propyl]carbamate Traditional Name: N-[3-(6-bromo-1-keto-phthalazin-2-yl)propyl]carbamic acid tert-butyl ester Formula: C16H20BrN3O3 MolecularWeight: 382.2523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN1C(=O)C2=C(C=C(C=C2)Br)C=N1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN1C(=O)C2=C(C=C(C=C2)Br)C=N1

InChI

InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)18-7-4-8-20-14(21)13-6-5-12(17)9-11(13)10-19-20/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,22)