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

Systemtic Name: 2-[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-oxo-phthalazin-2-yl]-N-(2-pyridylmethyl)acetamide CAS Name: 2-[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-2-phthalazinyl]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-oxophthalazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[1-keto-4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-2-yl]-N-(2-pyridylmethyl)acetamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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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)N5CCCCC5

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)N5CCCCC5

InChI

InChI=1S/C28H29N5O4S/c1-20-12-13-21(17-25(20)38(36,37)32-15-7-2-8-16-32)27-23-10-3-4-11-24(23)28(35)33(31-27)19-26(34)30-18-22-9-5-6-14-29-22/h3-6,9-14,17H,2,7-8,15-16,18-19H2,1H3,(H,30,34)