1-[5-butyl-1-(3-methyl-5-phenyl-4-pyridin-3-yl-1,2,3,4-tetrazol-2-yl)-1,2,4-triazol-3-yl]-2-cyclohexyl-ethanone

Systemtic Name: 1-[5-butyl-1-(3-methyl-5-phenyl-4-pyridin-3-yl-1,2,3,4-tetrazol-2-yl)-1,2,4-triazol-3-yl]-2-cyclohexyl-ethanone Openeye Name: 1-[5-butyl-1-[3-methyl-5-phenyl-4-(3-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]-2-cyclohexyl-ethanone CAS Name: 1-[5-butyl-1-[3-methyl-5-phenyl-4-(3-pyridinyl)-2-tetrazolyl]-1,2,4-triazol-3-yl]-2-cyclohexylethanone IUPAC Name: 1-[5-butyl-1-(3-methyl-5-phenyl-4-pyridin-3-yltetrazol-2-yl)-1,2,4-triazol-3-yl]-2-cyclohexylethanone Traditional Name: 1-[5-butyl-1-[3-methyl-5-phenyl-4-(3-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]-2-cyclohexyl-ethanone Formula: C27H34N8O MolecularWeight: 486.61186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1N2N=C(N(N2C)C3=CN=CC=C3)C4=CC=CC=C4)C(=O)CC5CCCCC5

Isomeric SMILES

CCCCC1=NC(=NN1N2N=C(N(N2C)C3=CN=CC=C3)C4=CC=CC=C4)C(=O)CC5CCCCC5

InChI

InChI=1S/C27H34N8O/c1-3-4-17-25-29-26(24(36)19-21-12-7-5-8-13-21)30-34(25)35-31-27(22-14-9-6-10-15-22)33(32(35)2)23-16-11-18-28-20-23/h6,9-11,14-16,18,20-21H,3-5,7-8,12-13,17,19H2,1-2H3