5-(isoquinolin-5-yloxymethyl)-N-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide CAS Name: N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-5-(5-isoquinolinyloxymethyl)-3-isoxazolecarboxamide IUPAC Name: N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(CNC(=O)C1=NOC(=C1)COC2=CC=CC3=C2C=CN=C3)O

Isomeric SMILES

C=CCC(CC=C)(CNC(=O)C1=NOC(=C1)COC2=CC=CC3=C2C=CN=C3)O

InChI

InChI=1S/C22H23N3O4/c1-3-9-22(27,10-4-2)15-24-21(26)19-12-17(29-25-19)14-28-20-7-5-6-16-13-23-11-8-18(16)20/h3-8,11-13,27H,1-2,9-10,14-15H2,(H,24,26)