1-[1-butyl-5-[3-(3-methylpyridin-2-yl)-4-phenyl-1,2,3,4-tetrazol-2-yl]-1,2,4-triazol-3-yl]propan-1-one

Systemtic Name: 1-[1-butyl-5-[3-(3-methylpyridin-2-yl)-4-phenyl-1,2,3,4-tetrazol-2-yl]-1,2,4-triazol-3-yl]propan-1-one Openeye Name: 1-[1-butyl-5-[3-(3-methyl-2-pyridyl)-4-phenyl-tetrazol-2-yl]-1,2,4-triazol-3-yl]propan-1-one CAS Name: 1-[1-butyl-5-[3-(3-methyl-2-pyridinyl)-4-phenyl-2-tetrazolyl]-1,2,4-triazol-3-yl]-1-propanone IUPAC Name: 1-[1-butyl-5-[3-(3-methylpyridin-2-yl)-4-phenyltetrazol-2-yl]-1,2,4-triazol-3-yl]propan-1-one Traditional Name: 1-[1-butyl-5-[3-(3-methyl-2-pyridyl)-4-phenyl-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:

CCCCN1C(=NC(=N1)C(=O)CC)N2N=CN(N2C3=C(C=CC=N3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CC)N2N=CN(N2C3=C(C=CC=N3)C)C4=CC=CC=C4

InChI

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