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

Systemtic Name: 1-[5-butyl-1-(3-methyl-5-phenyl-4-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)-1,2,4-triazol-3-yl]butan-1-one Openeye Name: 1-[5-butyl-1-[3-methyl-5-phenyl-4-(4-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]butan-1-one CAS Name: 1-[5-butyl-1-(3-methyl-5-phenyl-4-pyridin-4-yl-2-tetrazolyl)-1,2,4-triazol-3-yl]-1-butanone IUPAC Name: 1-[5-butyl-1-(3-methyl-5-phenyl-4-pyridin-4-yltetrazol-2-yl)-1,2,4-triazol-3-yl]butan-1-one Traditional Name: 1-[5-butyl-1-[3-methyl-5-phenyl-4-(4-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]butan-1-one Formula: C23H28N8O MolecularWeight: 432.52142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N8O/c1-4-6-13-21-25-22(20(32)10-5-2)26-30(21)31-27-23(18-11-8-7-9-12-18)29(28(31)3)19-14-16-24-17-15-19/h7-9,11-12,14-17H,4-6,10,13H2,1-3H3