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

Systemtic Name: N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-1-(phenylmethyl)-1,2,3,4-tetrazole-5-carboxamide Openeye Name: 1-benzyl-N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]tetrazole-5-carboxamide CAS Name: N-[2-cyano-3-(4-methyl-1-piperazinyl)phenyl]-1-(phenylmethyl)-5-tetrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]tetrazole-5-carboxamide Traditional Name: 1-benzyl-N-[2-cyano-3-(4-methylpiperazino)phenyl]tetrazole-5-carboxamide Formula: C21H22N8O MolecularWeight: 402.45238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=CC=C2)NC(=O)C3=NN=NN3CC4=CC=CC=C4)C#N

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=CC=C2)NC(=O)C3=NN=NN3CC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H22N8O/c1-27-10-12-28(13-11-27)19-9-5-8-18(17(19)14-22)23-21(30)20-24-25-26-29(20)15-16-6-3-2-4-7-16/h2-9H,10-13,15H2,1H3,(H,23,30)