N-(4-chloranyl-2-methyl-phenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-chloro-2-methylphenyl)-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-chloro-2-methylphenyl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H24ClN3O2/c1-3-4-5-8-13-26-22(28)18-10-7-6-9-17(18)20(25-26)21(27)24-19-12-11-16(23)14-15(19)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,24,27)