N-(2-cyano-3-piperidin-1-yl-phenyl)-1-(phenylmethyl)-1,2,3,4-tetrazole-5-carboxamide

Systemtic Name: N-(2-cyano-3-piperidin-1-yl-phenyl)-1-(phenylmethyl)-1,2,3,4-tetrazole-5-carboxamide Openeye Name: 1-benzyl-N-[2-cyano-3-(1-piperidyl)phenyl]tetrazole-5-carboxamide CAS Name: N-[2-cyano-3-(1-piperidinyl)phenyl]-1-(phenylmethyl)-5-tetrazolecarboxamide IUPAC Name: 1-benzyl-N-(2-cyano-3-piperidin-1-ylphenyl)tetrazole-5-carboxamide Traditional Name: 1-benzyl-N-(2-cyano-3-piperidino-phenyl)tetrazole-5-carboxamide Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=CC=C2)NC(=O)C3=NN=NN3CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C(=CC=C2)NC(=O)C3=NN=NN3CC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H21N7O/c22-14-17-18(10-7-11-19(17)27-12-5-2-6-13-27)23-21(29)20-24-25-26-28(20)15-16-8-3-1-4-9-16/h1,3-4,7-11H,2,5-6,12-13,15H2,(H,23,29)