1-[1-(3-methyl-5-phenyl-4-pyridin-2-yl-1,2,3,4-tetrazol-2-yl)-5-propyl-1,2,4-triazol-3-yl]butan-1-one

Systemtic Name: 1-[1-(3-methyl-5-phenyl-4-pyridin-2-yl-1,2,3,4-tetrazol-2-yl)-5-propyl-1,2,4-triazol-3-yl]butan-1-one Openeye Name: 1-[1-[3-methyl-5-phenyl-4-(2-pyridyl)tetrazol-2-yl]-5-propyl-1,2,4-triazol-3-yl]butan-1-one CAS Name: 1-[1-[3-methyl-5-phenyl-4-(2-pyridinyl)-2-tetrazolyl]-5-propyl-1,2,4-triazol-3-yl]-1-butanone IUPAC Name: 1-[1-(3-methyl-5-phenyl-4-pyridin-2-yltetrazol-2-yl)-5-propyl-1,2,4-triazol-3-yl]butan-1-one Traditional Name: 1-[1-[3-methyl-5-phenyl-4-(2-pyridyl)tetrazol-2-yl]-5-propyl-1,2,4-triazol-3-yl]butan-1-one Formula: C22H26N8O MolecularWeight: 418.49484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1N2N=C(N(N2C)C3=CC=CC=N3)C4=CC=CC=C4)C(=O)CCC

Isomeric SMILES

CCCC1=NC(=NN1N2N=C(N(N2C)C3=CC=CC=N3)C4=CC=CC=C4)C(=O)CCC

InChI

InChI=1S/C22H26N8O/c1-4-11-18(31)21-24-20(12-5-2)29(25-21)30-26-22(17-13-7-6-8-14-17)28(27(30)3)19-15-9-10-16-23-19/h6-10,13-16H,4-5,11-12H2,1-3H3