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]propan-1-one

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

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N8O/c1-4-6-14-20-24-21(19(31)5-2)25-29(20)30-26-22(17-11-8-7-9-12-17)28(27(30)3)18-13-10-15-23-16-18/h7-13,15-16H,4-6,14H2,1-3H3