2-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(oxan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(oxan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)-1-oxo-phthalazin-2-yl]-N-(tetrahydropyran-2-ylmethyl)acetamide CAS Name: 2-[4-(4-chlorophenyl)-1-oxo-2-phthalazinyl]-N-(2-oxanylmethyl)acetamide IUPAC Name: 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(oxan-2-ylmethyl)acetamide Traditional Name: 2-[4-(4-chlorophenyl)-1-keto-phthalazin-2-yl]-N-(tetrahydropyran-2-ylmethyl)acetamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCOC(C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O3/c23-16-10-8-15(9-11-16)21-18-6-1-2-7-19(18)22(28)26(25-21)14-20(27)24-13-17-5-3-4-12-29-17/h1-2,6-11,17H,3-5,12-14H2,(H,24,27)