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

Systemtic Name: 5-methyl-3-[[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-(2-phenyl-4-quinazolinyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C23H24N5O+ MolecularWeight: 386.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5O/c1-17-15-19(26-29-17)16-27-11-13-28(14-12-27)23-20-9-5-6-10-21(20)24-22(25-23)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3/p+1