3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]propanamide

Systemtic Name: 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]propanamide Openeye Name: 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide CAS Name: 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide IUPAC Name: 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide Traditional Name: 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]propionamide Formula: C22H21BrN6O3 MolecularWeight: 497.34454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN6O3/c23-15-8-6-14(7-9-15)20-26-19(32-29-20)11-10-18(30)24-12-3-13-25-21-16-4-1-2-5-17(16)22(31)28-27-21/h1-2,4-9H,3,10-13H2,(H,24,30)(H,25,27)(H,28,31)