N-(3-chlorophenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2/c1-2-3-4-7-13-25-21(27)18-12-6-5-11-17(18)19(24-25)20(26)23-16-10-8-9-15(22)14-16/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,23,26)