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

Systemtic Name: 2-phenyl-N-[[5-(1,2,3,4-tetrazol-2-ylmethyl)-1-benzofuran-7-yl]methyl]piperidin-3-amine Openeye Name: 2-phenyl-N-[[5-(tetrazol-2-ylmethyl)benzofuran-7-yl]methyl]piperidin-3-amine CAS Name: 2-phenyl-N-[[5-(2-tetrazolylmethyl)-7-benzofuranyl]methyl]-3-piperidinamine IUPAC Name: 2-phenyl-N-[[5-(tetrazol-2-ylmethyl)-1-benzofuran-7-yl]methyl]piperidin-3-amine Traditional Name: (2-phenyl-3-piperidyl)-[[5-(tetrazol-2-ylmethyl)benzofuran-7-yl]methyl]amine Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)CN5N=CN=N5)C=CO4

Isomeric SMILES

C1CC(C(NC1)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)CN5N=CN=N5)C=CO4

InChI

InChI=1S/C22H24N6O/c1-2-5-17(6-3-1)21-20(7-4-9-23-21)24-13-19-12-16(14-28-26-15-25-27-28)11-18-8-10-29-22(18)19/h1-3,5-6,8,10-12,15,20-21,23-24H,4,7,9,13-14H2