N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C19H18BrN3O4 MolecularWeight: 432.26792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=NNC(=O)C3=CC=CC=C32)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=NNC(=O)C3=CC=CC=C32)Br)OC

InChI

InChI=1S/C19H18BrN3O4/c1-26-15-9-11(14(20)10-16(15)27-2)7-8-21-19(25)17-12-5-3-4-6-13(12)18(24)23-22-17/h3-6,9-10H,7-8H2,1-2H3,(H,21,25)(H,23,24)