4-oxidanylidene-3-propan-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-propan-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-isopropyl-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-propan-2-yl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propan-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-(4-pyrrolidinosulfonylphenyl)phthalazine-1-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H24N4O4S/c1-15(2)26-22(28)19-8-4-3-7-18(19)20(24-26)21(27)23-16-9-11-17(12-10-16)31(29,30)25-13-5-6-14-25/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,23,27)