N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]adamantane-1-carboxamide Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H27N5O/c1-13-3-4-18(5-14(13)2)26-19(23-24-25-26)12-22-20(27)21-9-15-6-16(10-21)8-17(7-15)11-21/h3-5,15-17H,6-12H2,1-2H3,(H,22,27)