(4-propanoylphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-propanoylphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-propanoylphenyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (4-propionylphenyl) ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)CC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)CC

InChI

InChI=1S/C22H22N2O4/c1-3-5-14-24-21(26)18-9-7-6-8-17(18)20(23-24)22(27)28-16-12-10-15(11-13-16)19(25)4-2/h6-13H,3-5,14H2,1-2H3