2-phenyl-N-[[5-(1,2,4-triazol-1-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine trihydrochloride

Systemtic Name: 2-phenyl-N-[[5-(1,2,4-triazol-1-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine trihydrochloride Openeye Name: 2-phenyl-N-[[5-(1,2,4-triazol-1-yl)benzofuran-7-yl]methyl]piperidin-3-amine trihydrochloride CAS Name: 2-phenyl-N-[[5-(1,2,4-triazol-1-yl)-7-benzofuranyl]methyl]-3-piperidinamine trihydrochloride IUPAC Name: 2-phenyl-N-[[5-(1,2,4-triazol-1-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine trihydrochloride Traditional Name: (2-phenyl-3-piperidyl)-[[5-(1,2,4-triazol-1-yl)benzofuran-7-yl]methyl]amine trihydrochloride Formula: C22H26Cl3N5O MolecularWeight: 482.83374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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