3-heptyl-5-phenyl-1-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-heptyl-5-phenyl-1-(phenylmethyl)-1,2,4-triazole Openeye Name: 1-benzyl-3-heptyl-5-phenyl-1,2,4-triazole CAS Name: 3-heptyl-5-phenyl-1-(phenylmethyl)-1,2,4-triazole IUPAC Name: 1-benzyl-3-heptyl-5-phenyl-1,2,4-triazole Traditional Name: 1-benzyl-3-heptyl-5-phenyl-1,2,4-triazole Formula: C22H27N3 MolecularWeight: 333.46988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN(C(=N1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1=NN(C(=N1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3/c1-2-3-4-5-12-17-21-23-22(20-15-10-7-11-16-20)25(24-21)18-19-13-8-6-9-14-19/h6-11,13-16H,2-5,12,17-18H2,1H3