5-(3-chloranyl-4-propan-2-yloxy-phenyl)-3-(1-piperazin-1-ylisoquinolin-5-yl)-1,2,4-oxadiazole

Systemtic Name: 5-(3-chloranyl-4-propan-2-yloxy-phenyl)-3-(1-piperazin-1-ylisoquinolin-5-yl)-1,2,4-oxadiazole Openeye Name: 5-(3-chloro-4-isopropoxy-phenyl)-3-(1-piperazin-1-yl-5-isoquinolyl)-1,2,4-oxadiazole CAS Name: 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[1-(1-piperazinyl)-5-isoquinolinyl]-1,2,4-oxadiazole IUPAC Name: 5-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-piperazin-1-ylisoquinolin-5-yl)-1,2,4-oxadiazole Traditional Name: 5-(3-chloro-4-isopropoxy-phenyl)-3-(1-piperazino-5-isoquinolyl)-1,2,4-oxadiazole Formula: C24H24ClN5O2 MolecularWeight: 449.93266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC4=C3C=CN=C4N5CCNCC5)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC4=C3C=CN=C4N5CCNCC5)Cl

InChI

InChI=1S/C24H24ClN5O2/c1-15(2)31-21-7-6-16(14-20(21)25)24-28-22(29-32-24)18-4-3-5-19-17(18)8-9-27-23(19)30-12-10-26-11-13-30/h3-9,14-15,26H,10-13H2,1-2H3