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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1N2N=C(N(N2C)C3=CN=CC=C3)C4=CC=CC=C4)C(=O)CCC

Isomeric SMILES

CCCC1=NC(=NN1N2N=C(N(N2C)C3=CN=CC=C3)C4=CC=CC=C4)C(=O)CCC

InChI

InChI=1S/C22H26N8O/c1-4-10-19(31)21-24-20(11-5-2)29(25-21)30-26-22(17-12-7-6-8-13-17)28(27(30)3)18-14-9-15-23-16-18/h6-9,12-16H,4-5,10-11H2,1-3H3