5-[5-[3,5-bis(chloranyl)-4-cyano-phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-cyano-N-ethyl-isoquinoline-8-carboxamide

Systemtic Name: 5-[5-[3,5-bis(chloranyl)-4-cyano-phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-cyano-N-ethyl-isoquinoline-8-carboxamide Openeye Name: N-cyano-5-[5-(3,5-dichloro-4-cyano-phenyl)-5-(trifluoromethyl)-4H-isoxazol-3-yl]-N-ethyl-isoquinoline-8-carboxamide CAS Name: N-cyano-5-[5-(3,5-dichloro-4-cyanophenyl)-5-(trifluoromethyl)-4H-isoxazol-3-yl]-N-ethyl-8-isoquinolinecarboxamide IUPAC Name: N-cyano-5-[5-(3,5-dichloro-4-cyanophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-ethylisoquinoline-8-carboxamide Traditional Name: N-cyano-5-[5-(3,5-dichloro-4-cyano-phenyl)-5-(trifluoromethyl)-2-isoxazolin-3-yl]-N-ethyl-isoquinoline-8-carboxamide Formula: C24H14Cl2F3N5O2 MolecularWeight: 532.30147

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C#N)C(=O)C1=C2C=NC=CC2=C(C=C1)C3=NOC(C3)(C4=CC(=C(C(=C4)Cl)C#N)Cl)C(F)(F)F

Isomeric SMILES

CCN(C#N)C(=O)C1=C2C=NC=CC2=C(C=C1)C3=NOC(C3)(C4=CC(=C(C(=C4)Cl)C#N)Cl)C(F)(F)F

InChI

InChI=1S/C24H14Cl2F3N5O2/c1-2-34(12-31)22(35)16-4-3-15(14-5-6-32-11-18(14)16)21-9-23(36-33-21,24(27,28)29)13-7-19(25)17(10-30)20(26)8-13/h3-8,11H,2,9H2,1H3