N-[[5-(2-methylpyrazol-3-yl)-1-benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine trihydrochloride

Systemtic Name: N-[[5-(2-methylpyrazol-3-yl)-1-benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine trihydrochloride Openeye Name: N-[[5-(2-methylpyrazol-3-yl)benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine trihydrochloride CAS Name: N-[[5-(2-methyl-3-pyrazolyl)-7-benzofuranyl]methyl]-2-phenyl-3-piperidinamine trihydrochloride IUPAC Name: N-[[5-(2-methylpyrazol-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine trihydrochloride Traditional Name: [5-(2-methylpyrazol-3-yl)benzofuran-7-yl]methyl-(2-phenyl-3-piperidyl)amine trihydrochloride Formula: C24H29Cl3N4O MolecularWeight: 495.87226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C2=CC(=C3C(=C2)C=CO3)CNC4CCCNC4C5=CC=CC=C5.Cl.Cl.Cl

Isomeric SMILES

CN1C(=CC=N1)C2=CC(=C3C(=C2)C=CO3)CNC4CCCNC4C5=CC=CC=C5.Cl.Cl.Cl

InChI

InChI=1S/C24H26N4O.3ClH/c1-28-22(9-12-27-28)19-14-18-10-13-29-24(18)20(15-19)16-26-21-8-5-11-25-23(21)17-6-3-2-4-7-17;;;/h2-4,6-7,9-10,12-15,21,23,25-26H,5,8,11,16H2,1H3;3*1H