1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C27H22N4O5 MolecularWeight: 482.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)OC)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=C(C=C2)OC)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O5/c1-17(24-28-29-25(36-24)19-12-14-20(34-2)15-13-19)35-27(33)23-21-10-6-7-11-22(21)26(32)31(30-23)16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3