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

Systemtic Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O4/c1-2-3-12-27-21(28)17-7-5-4-6-16(17)19(26-27)22(29)30-13-18-24-25-20(31-18)14-8-10-15(23)11-9-14/h4-11H,2-3,12-13H2,1H3