1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4

InChI

InChI=1S/C23H23N5O4/c1-3-4-7-13-28-22(29)18-11-6-5-10-17(18)19(26-28)23(30)31-15(2)21-25-20(27-32-21)16-9-8-12-24-14-16/h5-6,8-12,14-15H,3-4,7,13H2,1-2H3