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

Systemtic Name: 5-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3-thiophen-2-yl-1,2-oxazole hydrochloride Openeye Name: 5-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3-(2-thienyl)isoxazole hydrochloride CAS Name: 5-[4-[4-(2-ethoxyphenyl)-1-piperazinyl]butyl]-3-thiophen-2-ylisoxazole hydrochloride IUPAC Name: 5-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3-thiophen-2-yl-1,2-oxazole hydrochloride Traditional Name: 5-[4-(4-o-phenetylpiperazino)butyl]-3-(2-thienyl)isoxazole hydrochloride Formula: C23H30ClN3O2S MolecularWeight: 448.0212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC(=NO3)C4=CC=CS4.Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC(=NO3)C4=CC=CS4.Cl

InChI

InChI=1S/C23H29N3O2S.ClH/c1-2-27-22-10-4-3-9-21(22)26-15-13-25(14-16-26)12-6-5-8-19-18-20(24-28-19)23-11-7-17-29-23;/h3-4,7,9-11,17-18H,2,5-6,8,12-16H2,1H3;1H