2-[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-methyl-3-morpholinosulfonyl-phenyl)-1-oxo-phthalazin-2-yl]-N-(2-pyridylmethyl)acetamide CAS Name: 2-[4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-oxo-2-phthalazinyl]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-oxophthalazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[1-keto-4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-2-yl]-N-(2-pyridylmethyl)acetamide Formula: C27H27N5O5S MolecularWeight: 533.59878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NCC4=CC=CC=N4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NCC4=CC=CC=N4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H27N5O5S/c1-19-9-10-20(16-24(19)38(35,36)31-12-14-37-15-13-31)26-22-7-2-3-8-23(22)27(34)32(30-26)18-25(33)29-17-21-6-4-5-11-28-21/h2-11,16H,12-15,17-18H2,1H3,(H,29,33)