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

Systemtic Name: N-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C22H16ClN3O3 MolecularWeight: 405.83374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O3/c1-29-17-12-10-16(11-13-17)26-22(28)19-5-3-2-4-18(19)20(25-26)21(27)24-15-8-6-14(23)7-9-15/h2-13H,1H3,(H,24,27)