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

Systemtic Name: N-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-1-(4-heptoxyphenyl)methanimine Openeye Name: N-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-1-(4-heptoxyphenyl)methanimine CAS Name: N-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]-1-(4-heptoxyphenyl)methanimine IUPAC Name: N-[5-(4-chlorophenyl)-2-phenylpyrazol-3-yl]-1-(4-heptoxyphenyl)methanimine Traditional Name: (E)-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-(4-heptoxybenzylidene)amine Formula: C29H30ClN3O MolecularWeight: 472.021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C=NC2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)/C=N/C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H30ClN3O/c1-2-3-4-5-9-20-34-27-18-12-23(13-19-27)22-31-29-21-28(24-14-16-25(30)17-15-24)32-33(29)26-10-7-6-8-11-26/h6-8,10-19,21-22H,2-5,9,20H2,1H3/b31-22+