1-(1-methylpyrazol-4-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(1-methylpyrazol-4-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)propan-1-one dihydrochloride CAS Name: 1-(1-methyl-4-pyrazolyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(1-methylpyrazol-4-yl)propan-1-one dihydrochloride Formula: C18H26Cl2N4O MolecularWeight: 385.33124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)CCN2CCN(CC2)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CN1C=C(C=N1)C(=O)CCN2CCN(CC2)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C18H24N4O.2ClH/c1-20-15-17(13-19-20)18(23)7-8-21-9-11-22(12-10-21)14-16-5-3-2-4-6-16;;/h2-6,13,15H,7-12,14H2,1H3;2*1H