3-butyl-N-(2-chloranyl-4,6-dimethyl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(2-chloranyl-4,6-dimethyl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(2-chloro-4,6-dimethyl-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(2-chloro-4,6-dimethylphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(2-chloro-4,6-dimethylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(2-chloro-4,6-dimethyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C21H22ClN3O2/c1-4-5-10-25-21(27)16-9-7-6-8-15(16)19(24-25)20(26)23-18-14(3)11-13(2)12-17(18)22/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,26)