3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carbonyl chloride

Systemtic Name: 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carbonyl chloride Openeye Name: 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carbonyl chloride CAS Name: 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carbonyl chloride IUPAC Name: 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carbonyl chloride Traditional Name: 3-butyl-1-cyano-4,4-dimethyl-1H-phthalazine-2-carbonyl chloride Formula: C16H20ClN3O MolecularWeight: 305.8025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O/c1-4-5-10-19-16(2,3)13-9-7-6-8-12(13)14(11-18)20(19)15(17)21/h6-9,14H,4-5,10H2,1-3H3