5-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-(5-isoquinolylmethyl)-N-methyl-isoxazole-3-carboxamide CAS Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(5-isoquinolinylmethyl)-N-methyl-3-isoxazolecarboxamide IUPAC Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide Traditional Name: 5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-(5-isoquinolylmethyl)-N-methyl-isoxazole-3-carboxamide Formula: C22H17ClFN3O3 MolecularWeight: 425.840083

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1C=CN=C2)C(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CN(CC1=CC=CC2=C1C=CN=C2)C(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H17ClFN3O3/c1-27(12-15-4-2-3-14-11-25-8-7-18(14)15)22(28)20-10-17(30-26-20)13-29-21-6-5-16(24)9-19(21)23/h2-11H,12-13H2,1H3