N-[(S)-1,3-benzodioxol-5-yl-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-N-methyl-ethanamide

Systemtic Name: N-[(S)-1,3-benzodioxol-5-yl-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-N-methyl-ethanamide Openeye Name: N-[(S)-1,3-benzodioxol-5-yl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methyl-acetamide CAS Name: N-[(S)-1,3-benzodioxol-5-yl-[1-(2,6-dimethylphenyl)-5-tetrazolyl]methyl]-N-methylacetamide IUPAC Name: N-[(S)-1,3-benzodioxol-5-yl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide Traditional Name: N-[(S)-1,3-benzodioxol-5-yl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methyl-acetamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=CC4=C(C=C3)OCO4)N(C)C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)[C@H](C3=CC4=C(C=C3)OCO4)N(C)C(=O)C

InChI

InChI=1S/C20H21N5O3/c1-12-6-5-7-13(2)18(12)25-20(21-22-23-25)19(24(4)14(3)26)15-8-9-16-17(10-15)28-11-27-16/h5-10,19H,11H2,1-4H3/t19-/m0/s1