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

Systemtic Name: 5-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-3-thiophen-2-yl-1,2-oxazole chloride Openeye Name: 5-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-(2-thienyl)isoxazole chloride CAS Name: 5-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-thiophen-2-ylisoxazole chloride IUPAC Name: 5-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole chloride Traditional Name: 5-[4-(4-benzhydrylpiperazino)butyl]-3-(2-thienyl)isoxazole chloride Formula: C28H31ClN3OS- MolecularWeight: 493.08324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC(=NO2)C3=CC=CS3)C(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CN(CCN1CCCCC2=CC(=NO2)C3=CC=CS3)C(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C28H31N3OS.ClH/c1-3-10-23(11-4-1)28(24-12-5-2-6-13-24)31-19-17-30(18-20-31)16-8-7-14-25-22-26(29-32-25)27-15-9-21-33-27;/h1-6,9-13,15,21-22,28H,7-8,14,16-20H2;1H/p-1