5-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole hydrochloride

Systemtic Name: 5-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole hydrochloride Openeye Name: 5-[4-[4-(o-tolyl)piperazin-1-yl]butyl]-3-phenyl-isoxazole hydrochloride CAS Name: 5-[4-[4-(2-methylphenyl)-1-piperazinyl]butyl]-3-phenylisoxazole hydrochloride IUPAC Name: 5-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole hydrochloride Traditional Name: 5-[4-[4-(o-tolyl)piperazino]butyl]-3-phenyl-isoxazole hydrochloride Formula: C24H30ClN3O MolecularWeight: 411.9675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC(=NO3)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC(=NO3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C24H29N3O.ClH/c1-20-9-5-6-13-24(20)27-17-15-26(16-18-27)14-8-7-12-22-19-23(25-28-22)21-10-3-2-4-11-21;/h2-6,9-11,13,19H,7-8,12,14-18H2,1H3;1H