4-butyl-3,5-bis(4-methoxyphenyl)-1-phenyl-pyrazole

Systemtic Name: 4-butyl-3,5-bis(4-methoxyphenyl)-1-phenyl-pyrazole Openeye Name: 4-butyl-3,5-bis(4-methoxyphenyl)-1-phenyl-pyrazole CAS Name: 4-butyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole IUPAC Name: 4-butyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole Traditional Name: 4-butyl-3,5-bis(4-methoxyphenyl)-1-phenyl-pyrazole Formula: C27H28N2O2 MolecularWeight: 412.52342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC1=C(N(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N2O2/c1-4-5-11-25-26(20-12-16-23(30-2)17-13-20)28-29(22-9-7-6-8-10-22)27(25)21-14-18-24(31-3)19-15-21/h6-10,12-19H,4-5,11H2,1-3H3