2-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)-1-oxo-phthalazin-2-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[4-(4-chlorophenyl)-1-oxo-2-phthalazinyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[4-(4-chlorophenyl)-1-keto-phthalazin-2-yl]-N-(3-pyridylmethyl)acetamide Formula: C22H17ClN4O2 MolecularWeight: 404.84898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN4O2/c23-17-9-7-16(8-10-17)21-18-5-1-2-6-19(18)22(29)27(26-21)14-20(28)25-13-15-4-3-11-24-12-15/h1-12H,13-14H2,(H,25,28)