N-(5-chloranyl-2-methoxy-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(5-chloro-2-methoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3/c1-3-4-7-12-25-21(27)16-9-6-5-8-15(16)19(24-25)20(26)23-17-13-14(22)10-11-18(17)28-2/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,23,26)