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

Systemtic Name: 3-ethyl-4-oxidanylidene-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-ethyl-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-(4-pyrrolidinosulfonylphenyl)phthalazine-1-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O4S/c1-2-25-21(27)18-8-4-3-7-17(18)19(23-25)20(26)22-15-9-11-16(12-10-15)30(28,29)24-13-5-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,26)