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

Systemtic Name: 5-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole hydrochloride Openeye Name: 5-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-isoxazole hydrochloride CAS Name: 5-[4-[4-(2-ethoxyphenyl)-1-piperazinyl]butyl]-3-phenylisoxazole hydrochloride IUPAC Name: 5-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole hydrochloride Traditional Name: 5-[4-(4-o-phenetylpiperazino)butyl]-3-phenyl-isoxazole hydrochloride Formula: C25H32ClN3O2 MolecularWeight: 441.99348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2.ClH/c1-2-29-25-14-7-6-13-24(25)28-18-16-27(17-19-28)15-9-8-12-22-20-23(26-30-22)21-10-4-3-5-11-21;/h3-7,10-11,13-14,20H,2,8-9,12,15-19H2,1H3;1H