2-(4-phenylpiperazin-1-yl)ethyl 2-[5-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoate

Systemtic Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[5-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[5-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: 2-[5-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]acetic acid 2-(4-phenyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[5-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetic acid 2-(4-phenylpiperazino)ethyl ester Formula: C29H29ClN4O2 MolecularWeight: 501.01916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)CC2=C(N(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCOC(=O)CC2=C(N(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H29ClN4O2/c30-25-13-11-23(12-14-25)29-24(22-31-34(29)27-9-5-2-6-10-27)21-28(35)36-20-19-32-15-17-33(18-16-32)26-7-3-1-4-8-26/h1-14,22H,15-21H2