N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[2-(diethylamino)-5-(1-piperidylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[2-(diethylamino)-5-(1-piperidinylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[2-(diethylamino)-5-piperidinosulfonyl-phenyl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H31N5O4S/c1-3-29(4-2)23-13-12-18(35(33,34)30-14-8-5-9-15-30)16-22(23)26-24(31)17-21-19-10-6-7-11-20(19)25(32)28-27-21/h6-7,10-13,16H,3-5,8-9,14-15,17H2,1-2H3,(H,26,31)(H,28,32)