(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H21ClN2O3/c1-12(2)16-10-17(22)13(3)9-19(16)27-20(25)11-18-14-7-5-6-8-15(14)21(26)24(4)23-18/h5-10,12H,11H2,1-4H3