3-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]-1,2,4-oxadiazole Openeye Name: 5-[2-(4-phenylpiperazin-1-yl)-4-quinolyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[2-(4-phenyl-1-piperazinyl)-4-quinolinyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]-1,2,4-oxadiazole Traditional Name: 5-[2-(4-phenylpiperazino)-4-quinolyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=NC4=CC=CC=C43)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=NC4=CC=CC=C43)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C28H25N5O/c1-20-11-13-21(14-12-20)27-30-28(34-31-27)24-19-26(29-25-10-6-5-9-23(24)25)33-17-15-32(16-18-33)22-7-3-2-4-8-22/h2-14,19H,15-18H2,1H3