1-(1-benzofuran-2-ylmethyl)-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(1-benzofuran-2-ylmethyl)-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide CAS Name: 1-(2-benzofuranylmethyl)-N-[3-(1-tetrazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]nipecotamide Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=CC=CC=C3O2)C(=O)NC4=CC=CC(=C4)N5C=NN=N5

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=CC=CC=C3O2)C(=O)NC4=CC=CC(=C4)N5C=NN=N5

InChI

InChI=1S/C22H22N6O2/c29-22(24-18-7-3-8-19(12-18)28-15-23-25-26-28)17-6-4-10-27(13-17)14-20-11-16-5-1-2-9-21(16)30-20/h1-3,5,7-9,11-12,15,17H,4,6,10,13-14H2,(H,24,29)