N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N(C)C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N(C)C

InChI

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