3-methylbutyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: 3-methylbutyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: isopentyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid isoamyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-14(2)12-13-25-20(24)18-16-10-6-7-11-17(16)19(23)22(21-18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3