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

Systemtic Name: 3-(4-chlorophenyl)-5-[(4-quinazolin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-chlorophenyl)-5-[(4-quinazolin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-chlorophenyl)-5-[[4-(4-quinazolinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-chlorophenyl)-5-[(4-quinazolin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-chlorophenyl)-5-[(4-quinazolin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C21H20ClN6O+ MolecularWeight: 407.8761

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C21H19ClN6O/c22-16-7-5-15(6-8-16)20-25-19(29-26-20)13-27-9-11-28(12-10-27)21-17-3-1-2-4-18(17)23-14-24-21/h1-8,14H,9-13H2/p+1