N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(4-hexoxy-3-methoxy-phenyl)methanimine

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(4-hexoxy-3-methoxy-phenyl)methanimine Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(4-hexoxy-3-methoxy-phenyl)methanimine CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)-1,2,4-triazol-4-yl]-1-(4-hexoxy-3-methoxyphenyl)methanimine IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(4-hexoxy-3-methoxyphenyl)methanimine Traditional Name: (Z)-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-(4-hexoxy-3-methoxy-benzylidene)amine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=NN2C=NN=C2N3C(=CC(=N3)C)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=N\N2C=NN=C2N3C(=CC(=N3)C)C)OC

InChI

InChI=1S/C21H28N6O2/c1-5-6-7-8-11-29-19-10-9-18(13-20(19)28-4)14-23-26-15-22-24-21(26)27-17(3)12-16(2)25-27/h9-10,12-15H,5-8,11H2,1-4H3/b23-14-