N-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-1-(2-hexoxyphenyl)methanimine

Systemtic Name: N-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-1-(2-hexoxyphenyl)methanimine Openeye Name: N-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-1-(2-hexoxyphenyl)methanimine CAS Name: N-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]-1-(2-hexoxyphenyl)methanimine IUPAC Name: N-[5-(4-chlorophenyl)-2-phenylpyrazol-3-yl]-1-(2-hexoxyphenyl)methanimine Traditional Name: (E)-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-(2-hexoxybenzylidene)amine Formula: C28H28ClN3O MolecularWeight: 457.99442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C=NC2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCOC1=CC=CC=C1/C=N/C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H28ClN3O/c1-2-3-4-10-19-33-27-14-9-8-11-23(27)21-30-28-20-26(22-15-17-24(29)18-16-22)31-32(28)25-12-6-5-7-13-25/h5-9,11-18,20-21H,2-4,10,19H2,1H3/b30-21+