5-[[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole Openeye Name: 3-isopropyl-5-[[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-[[4-(4-phenyl-2-quinazolinyl)-1-piperazin-1-iumyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole Traditional Name: 3-isopropyl-5-[[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C24H27N6O+ MolecularWeight: 415.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C24H26N6O/c1-17(2)23-26-21(31-28-23)16-29-12-14-30(15-13-29)24-25-20-11-7-6-10-19(20)22(27-24)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3/p+1