[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H17BrN4O4 MolecularWeight: 469.28808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O4/c1-2-11-26-20(27)16-6-4-3-5-15(16)18(25-26)21(28)29-12-17-23-24-19(30-17)13-7-9-14(22)10-8-13/h3-10H,2,11-12H2,1H3