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

Systemtic Name: 2-phenyl-N-[(5-pyrazol-1-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine trihydrochloride Openeye Name: 2-phenyl-N-[(5-pyrazol-1-ylbenzofuran-7-yl)methyl]piperidin-3-amine trihydrochloride CAS Name: 2-phenyl-N-[[5-(1-pyrazolyl)-7-benzofuranyl]methyl]-3-piperidinamine trihydrochloride IUPAC Name: 2-phenyl-N-[(5-pyrazol-1-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine trihydrochloride Traditional Name: (2-phenyl-3-piperidyl)-[(5-pyrazol-1-ylbenzofuran-7-yl)methyl]amine trihydrochloride Formula: C23H27Cl3N4O MolecularWeight: 481.84568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)N5C=CC=N5)C=CO4.Cl.Cl.Cl

Isomeric SMILES

C1CC(C(NC1)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)N5C=CC=N5)C=CO4.Cl.Cl.Cl

InChI

InChI=1S/C23H24N4O.3ClH/c1-2-6-17(7-3-1)22-21(8-4-10-24-22)25-16-19-15-20(27-12-5-11-26-27)14-18-9-13-28-23(18)19;;;/h1-3,5-7,9,11-15,21-22,24-25H,4,8,10,16H2;3*1H