1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(5-methyl-3-phenyl-isoxazol-4-yl)propan-1-one dihydrochloride CAS Name: 1-(5-methyl-3-phenyl-4-isoxazolyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(5-methyl-3-phenyl-isoxazol-4-yl)propan-1-one dihydrochloride Formula: C24H29Cl2N3O2 MolecularWeight: 462.41196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C24H27N3O2.2ClH/c1-19-23(24(25-29-19)21-10-6-3-7-11-21)22(28)12-13-26-14-16-27(17-15-26)18-20-8-4-2-5-9-20;;/h2-11H,12-18H2,1H3;2*1H