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

Systemtic Name: 4-butoxy-N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide Formula: C21H25N5O2 MolecularWeight: 379.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=NN2C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=NN2C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H25N5O2/c1-4-5-12-28-19-10-7-17(8-11-19)21(27)22-14-20-23-24-25-26(20)18-9-6-15(2)16(3)13-18/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,27)