ethyl 6-(3,4,5-triphenylpyrazol-1-yl)hexanoate

Systemtic Name: ethyl 6-(3,4,5-triphenylpyrazol-1-yl)hexanoate Openeye Name: ethyl 6-(3,4,5-triphenylpyrazol-1-yl)hexanoate CAS Name: 6-(3,4,5-triphenyl-1-pyrazolyl)hexanoic acid ethyl ester IUPAC Name: ethyl 6-(3,4,5-triphenylpyrazol-1-yl)hexanoate Traditional Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexanoic acid ethyl ester Formula: C29H30N2O2 MolecularWeight: 438.5607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O2/c1-2-33-26(32)21-13-6-14-22-31-29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(30-31)24-17-9-4-10-18-24/h3-5,7-12,15-20H,2,6,13-14,21-22H2,1H3