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

Systemtic Name: 1-(3-phenylprop-2-ynoyl)-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(3-phenylprop-2-ynoyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide CAS Name: 1-(1-oxo-3-phenylprop-2-ynyl)-N-[3-(1-tetrazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(3-phenylprop-2-ynoyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(3-phenylpropioloyl)-N-[3-(tetrazol-1-yl)phenyl]nipecotamide Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)N4C=NN=N4

Isomeric SMILES

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)N4C=NN=N4

InChI

InChI=1S/C22H20N6O2/c29-21(12-11-17-6-2-1-3-7-17)27-13-5-8-18(15-27)22(30)24-19-9-4-10-20(14-19)28-16-23-25-26-28/h1-4,6-7,9-10,14,16,18H,5,8,13,15H2,(H,24,30)