3-methyl-4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(3-pyrrolidinosulfonylphenyl)phthalazine-1-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N4O4S/c1-23-20(26)17-10-3-2-9-16(17)18(22-23)19(25)21-14-7-6-8-15(13-14)29(27,28)24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,21,25)