N-[2-(3-chlorophenyl)ethyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-5-(5-isoquinolinyloxymethyl)-3-isoxazolecarboxamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H18ClN3O3/c23-17-5-1-3-15(11-17)7-10-25-22(27)20-12-18(29-26-20)14-28-21-6-2-4-16-13-24-9-8-19(16)21/h1-6,8-9,11-13H,7,10,14H2,(H,25,27)