4-[3-(4-cyanophenyl)isoquinolin-1-yl]oxy-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]pyrrolidine-2-carboxamide

Systemtic Name: 4-[3-(4-cyanophenyl)isoquinolin-1-yl]oxy-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]pyrrolidine-2-carboxamide Openeye Name: 4-[[3-(4-cyanophenyl)-1-isoquinolyl]oxy]-N-[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]pyrrolidine-2-carboxamide CAS Name: 4-[[3-(4-cyanophenyl)-1-isoquinolinyl]oxy]-N-[1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-[3-(4-cyanophenyl)isoquinolin-1-yl]oxy-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide Traditional Name: 4-[[3-(4-cyanophenyl)-1-isoquinolyl]oxy]-N-[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]pyrrolidine-2-carboxamide Formula: C30H29N5O5S MolecularWeight: 571.64676

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC(CN3)OC4=NC(=CC5=CC=CC=C54)C6=CC=C(C=C6)C#N

Isomeric SMILES

C=CC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC(CN3)OC4=NC(=CC5=CC=CC=C54)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C30H29N5O5S/c1-2-21-15-30(21,29(37)35-41(38,39)23-11-12-23)34-27(36)26-14-22(17-32-26)40-28-24-6-4-3-5-20(24)13-25(33-28)19-9-7-18(16-31)8-10-19/h2-10,13,21-23,26,32H,1,11-12,14-15,17H2,(H,34,36)(H,35,37)