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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(3-chloro-2-methyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C(=CC=C3)Cl)C

InChI

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