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

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

CCCC(=O)C1=NN(C(=N1)N2N=C(N(N2C)C3=CC=NC=C3)C4=CC=CC=C4)CCC

Isomeric SMILES

CCCC(=O)C1=NN(C(=N1)N2N=C(N(N2C)C3=CC=NC=C3)C4=CC=CC=C4)CCC

InChI

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