N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C24H28N4O5S MolecularWeight: 484.56792

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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(C)C)S(=O)(=O)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O5S/c1-4-33-20-12-11-17(15-21(20)34(31,32)27-13-7-8-14-27)25-23(29)22-18-9-5-6-10-19(18)24(30)28(26-22)16(2)3/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H,25,29)