trichloromethyl 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carboxylate

Systemtic Name: trichloromethyl 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carboxylate Openeye Name: trichloromethyl 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carboxylate CAS Name: 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carboxylic acid trichloromethyl ester IUPAC Name: trichloromethyl 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carboxylate Traditional Name: 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carboxylic acid trichloromethyl ester Formula: C17H20Cl3N3O2 MolecularWeight: 404.7186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2C(N1C(=O)OC(Cl)(Cl)Cl)C#N)(C)C

Isomeric SMILES

CCCCN1C(C2=CC=CC=C2C(N1C(=O)OC(Cl)(Cl)Cl)C#N)(C)C

InChI

InChI=1S/C17H20Cl3N3O2/c1-4-5-10-22-16(2,3)13-9-7-6-8-12(13)14(11-21)23(22)15(24)25-17(18,19)20/h6-9,14H,4-5,10H2,1-3H3