3-[2-[[4-(4-bromanylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[4-(4-bromanylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[4-(4-bromophenoxy)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[4-(4-bromophenoxy)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[4-(4-bromophenoxy)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[4-(4-bromophenoxy)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C23H17BrN4O4 MolecularWeight: 493.30948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Br)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Br)C(=O)N

InChI

InChI=1S/C23H17BrN4O4/c24-14-5-9-16(10-6-14)32-17-11-7-15(8-12-17)26-20(29)13-28-23(31)19-4-2-1-3-18(19)21(27-28)22(25)30/h1-12H,13H2,(H2,25,30)(H,26,29)