N-(2-chlorophenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(2-chlorophenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(2-chlorophenyl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-chlorophenyl)-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-chlorophenyl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(2-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=C3Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3Cl

InChI

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