(3S,4R)-4-(4-fluorophenyl)-N-isoquinolin-6-yl-pyrrolidine-3-carboxamide

Systemtic Name: (3S,4R)-4-(4-fluorophenyl)-N-isoquinolin-6-yl-pyrrolidine-3-carboxamide Openeye Name: (3S,4R)-4-(4-fluorophenyl)-N-(6-isoquinolyl)pyrrolidine-3-carboxamide CAS Name: (3S,4R)-4-(4-fluorophenyl)-N-(6-isoquinolinyl)-3-pyrrolidinecarboxamide IUPAC Name: (3S,4R)-4-(4-fluorophenyl)-N-isoquinolin-6-ylpyrrolidine-3-carboxamide Traditional Name: (3S,4R)-4-(4-fluorophenyl)-N-(6-isoquinolyl)pyrrolidine-3-carboxamide Formula: C20H18FN3O MolecularWeight: 335.374823

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1)C(=O)NC2=CC3=C(C=C2)C=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1[C@H]([C@@H](CN1)C(=O)NC2=CC3=C(C=C2)C=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3O/c21-16-4-1-13(2-5-16)18-11-23-12-19(18)20(25)24-17-6-3-15-10-22-8-7-14(15)9-17/h1-10,18-19,23H,11-12H2,(H,24,25)/t18-,19+/m0/s1