N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H24N4O5S/c1-3-31-18-11-10-15(14-19(18)32(29,30)26-12-6-7-13-26)23-21(27)20-16-8-4-5-9-17(16)22(28)25(2)24-20/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,27)