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

Systemtic Name: N-(2-cyano-3-morpholin-4-yl-phenyl)-1-(phenylmethyl)-1,2,3,4-tetrazole-5-carboxamide Openeye Name: 1-benzyl-N-(2-cyano-3-morpholino-phenyl)tetrazole-5-carboxamide CAS Name: N-[2-cyano-3-(4-morpholinyl)phenyl]-1-(phenylmethyl)-5-tetrazolecarboxamide IUPAC Name: 1-benzyl-N-(2-cyano-3-morpholin-4-ylphenyl)tetrazole-5-carboxamide Traditional Name: 1-benzyl-N-(2-cyano-3-morpholino-phenyl)tetrazole-5-carboxamide Formula: C20H19N7O2 MolecularWeight: 389.41056

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=CC=C2)NC(=O)C3=NN=NN3CC4=CC=CC=C4)C#N

Isomeric SMILES

C1COCCN1C2=C(C(=CC=C2)NC(=O)C3=NN=NN3CC4=CC=CC=C4)C#N

InChI

InChI=1S/C20H19N7O2/c21-13-16-17(7-4-8-18(16)26-9-11-29-12-10-26)22-20(28)19-23-24-25-27(19)14-15-5-2-1-3-6-15/h1-8H,9-12,14H2,(H,22,28)