1-[5-butyl-1-(2-methyl-4-phenyl-3-pyridin-2-yl-1,2,3,4-tetrazolidin-1-yl)-1,2,4-triazol-3-yl]butan-1-one

Systemtic Name: 1-[5-butyl-1-(2-methyl-4-phenyl-3-pyridin-2-yl-1,2,3,4-tetrazolidin-1-yl)-1,2,4-triazol-3-yl]butan-1-one Openeye Name: 1-[5-butyl-1-[2-methyl-4-phenyl-3-(2-pyridyl)tetrazolidin-1-yl]-1,2,4-triazol-3-yl]butan-1-one CAS Name: 1-[5-butyl-1-[2-methyl-4-phenyl-3-(2-pyridinyl)-1-tetrazolidinyl]-1,2,4-triazol-3-yl]-1-butanone IUPAC Name: 1-[5-butyl-1-(2-methyl-4-phenyl-3-pyridin-2-yltetrazolidin-1-yl)-1,2,4-triazol-3-yl]butan-1-one Traditional Name: 1-[5-butyl-1-[2-methyl-4-phenyl-3-(2-pyridyl)tetrazolidin-1-yl]-1,2,4-triazol-3-yl]butan-1-one Formula: C23H30N8O MolecularWeight: 434.5373

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1N2CN(N(N2C)C3=CC=CC=N3)C4=CC=CC=C4)C(=O)CCC

Isomeric SMILES

CCCCC1=NC(=NN1N2CN(N(N2C)C3=CC=CC=N3)C4=CC=CC=C4)C(=O)CCC

InChI

InChI=1S/C23H30N8O/c1-4-6-15-22-25-23(20(32)12-5-2)26-30(22)29-18-28(19-13-8-7-9-14-19)31(27(29)3)21-16-10-11-17-24-21/h7-11,13-14,16-17H,4-6,12,15,18H2,1-3H3