3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(4-bromanyl-2-fluoranyl-phenyl)propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(4-bromanyl-2-fluoranyl-phenyl)propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-(1,4-diketo-3H-phthalazin-2-yl)propionamide Formula: C17H13BrFN3O3 MolecularWeight: 406.205823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H13BrFN3O3/c18-10-5-6-14(13(19)9-10)20-15(23)7-8-22-17(25)12-4-2-1-3-11(12)16(24)21-22/h1-6,9H,7-8H2,(H,20,23)(H,21,24)