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

Systemtic Name: N-(4-ethoxyphenyl)-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-propyl-ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]-N-propyl-acetamide CAS Name: N-(4-ethoxyphenyl)-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]-N-propylacetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-propylacetamide Traditional Name: 2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]-N-p-phenetyl-N-propyl-acetamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=C(C=C1)OCC)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

Isomeric SMILES

CCCN(C1=CC=C(C=C1)OCC)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

InChI

InChI=1S/C27H28N4O3/c1-3-16-30(21-11-13-22(14-12-21)34-4-2)26(32)19-31-27(33)24-10-6-5-9-23(24)25(29-31)17-20-8-7-15-28-18-20/h5-15,18H,3-4,16-17,19H2,1-2H3