3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-ium-1-yl)propyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-ium-1-yl)propyl]-1,2,4-oxadiazole Openeye Name: 3-(p-tolyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-ium-1-yl)propyl]-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[3-[4-(4-quinazolinyl)-1-piperazin-1-iumyl]propyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-ium-1-yl)propyl]-1,2,4-oxadiazole Traditional Name: 3-(p-tolyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-ium-1-yl)propyl]-1,2,4-oxadiazole Formula: C24H27N6O+ MolecularWeight: 415.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CCC[NH+]3CCN(CC3)C4=NC=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CCC[NH+]3CCN(CC3)C4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C24H26N6O/c1-18-8-10-19(11-9-18)23-27-22(31-28-23)7-4-12-29-13-15-30(16-14-29)24-20-5-2-3-6-21(20)25-17-26-24/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3/p+1