1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-4-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-4-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-(4-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]-2-cyclohexyl-ethanone CAS Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-4-yl-2-tetrazolyl)-1,2,4-triazol-3-yl]-2-cyclohexylethanone IUPAC Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-4-yltetrazol-2-yl)-1,2,4-triazol-3-yl]-2-cyclohexylethanone Traditional Name: 1-[1-butyl-5-[3-methyl-5-phenyl-4-(4-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=NC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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