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

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

CCCCN1C(=NC(=N1)C(=O)CC2CCCCC2)N3N=C(N(N3C)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CC2CCCCC2)N3N=C(N(N3C)C4=CC=CC=N4)C5=CC=CC=C5

InChI

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