phenacyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: phenacyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: phenacyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid phenacyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-2-3-9-14-24-21(26)18-13-8-7-12-17(18)20(23-24)22(27)28-15-19(25)16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14-15H2,1H3