2-phenyl-N-[[5-(1,2,3-triazol-1-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine dihydrochloride

Systemtic Name: 2-phenyl-N-[[5-(1,2,3-triazol-1-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine dihydrochloride Openeye Name: 2-phenyl-N-[[5-(triazol-1-yl)benzofuran-7-yl]methyl]piperidin-3-amine dihydrochloride CAS Name: 2-phenyl-N-[[5-(1-triazolyl)-7-benzofuranyl]methyl]-3-piperidinamine dihydrochloride IUPAC Name: 2-phenyl-N-[[5-(triazol-1-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine dihydrochloride Traditional Name: (2-phenyl-3-piperidyl)-[[5-(triazol-1-yl)benzofuran-7-yl]methyl]amine dihydrochloride Formula: C22H25Cl2N5O MolecularWeight: 446.3728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O.2ClH/c1-2-5-16(6-3-1)21-20(7-4-9-23-21)24-15-18-14-19(27-11-10-25-26-27)13-17-8-12-28-22(17)18;;/h1-3,5-6,8,10-14,20-21,23-24H,4,7,9,15H2;2*1H