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

Systemtic Name: phenacyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: phenacyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid phenacyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-2-3-13-23-20(25)17-12-8-7-11-16(17)19(22-23)21(26)27-14-18(24)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3