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

Systemtic Name: 2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]-N-(4-phenoxyphenyl)acetamide Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

InChI

InChI=1S/C28H22N4O3/c33-27(30-21-12-14-23(15-13-21)35-22-8-2-1-3-9-22)19-32-28(34)25-11-5-4-10-24(25)26(31-32)17-20-7-6-16-29-18-20/h1-16,18H,17,19H2,(H,30,33)