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

Systemtic Name: 5-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-3-thiophen-2-yl-1,2-oxazole hydrochloride Openeye Name: 5-[4-[4-(o-tolyl)piperazin-1-yl]butyl]-3-(2-thienyl)isoxazole hydrochloride CAS Name: 5-[4-[4-(2-methylphenyl)-1-piperazinyl]butyl]-3-thiophen-2-ylisoxazole hydrochloride IUPAC Name: 5-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-3-thiophen-2-yl-1,2-oxazole hydrochloride Traditional Name: 5-[4-[4-(o-tolyl)piperazino]butyl]-3-(2-thienyl)isoxazole hydrochloride Formula: C22H28ClN3OS MolecularWeight: 417.99522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC(=NO3)C4=CC=CS4.Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC(=NO3)C4=CC=CS4.Cl

InChI

InChI=1S/C22H27N3OS.ClH/c1-18-7-2-3-9-21(18)25-14-12-24(13-15-25)11-5-4-8-19-17-20(23-26-19)22-10-6-16-27-22;/h2-3,6-7,9-10,16-17H,4-5,8,11-15H2,1H3;1H