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

Systemtic Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)-1,2,4-triazol-3-yl]pentan-1-one Openeye Name: 1-[1-butyl-5-[3-methyl-5-phenyl-4-(4-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]pentan-1-one CAS Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-4-yl-2-tetrazolyl)-1,2,4-triazol-3-yl]-1-pentanone IUPAC Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-4-yltetrazol-2-yl)-1,2,4-triazol-3-yl]pentan-1-one Traditional Name: 1-[1-butyl-5-[3-methyl-5-phenyl-4-(4-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]pentan-1-one Formula: C24H30N8O MolecularWeight: 446.548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N8O/c1-4-6-13-21(33)22-26-24(30(27-22)18-7-5-2)32-28-23(19-11-9-8-10-12-19)31(29(32)3)20-14-16-25-17-15-20/h8-12,14-17H,4-7,13,18H2,1-3H3