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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=NN(C(=N1)N2N=C(N(N2C)C3=CN=CC=C3)C4=CC=CC=C4)CCC

Isomeric SMILES

CCCCC(=O)C1=NN(C(=N1)N2N=C(N(N2C)C3=CN=CC=C3)C4=CC=CC=C4)CCC

InChI

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