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

Systemtic Name: 3-butyl-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C(=C3)C)Cl)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C(=C3)C)Cl)OC

InChI

InChI=1S/C21H22ClN3O3/c1-4-5-10-25-21(27)15-9-7-6-8-14(15)19(24-25)20(26)23-17-11-13(2)16(22)12-18(17)28-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,26)