ethyl 4-[2-(4-chlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]benzoate

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]benzoate Openeye Name: ethyl 4-[2-(4-chlorophenyl)-4-methyl-5-(1-piperidylcarbamoyl)pyrazol-3-yl]benzoate CAS Name: 4-[2-(4-chlorophenyl)-4-methyl-5-[oxo-(1-piperidinylamino)methyl]-3-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]benzoate Traditional Name: 4-[2-(4-chlorophenyl)-4-methyl-5-(piperidinocarbamoyl)pyrazol-3-yl]benzoic acid ethyl ester Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=C(C=C3)Cl)C(=O)NN4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=C(C=C3)Cl)C(=O)NN4CCCCC4)C

InChI

InChI=1S/C25H27ClN4O3/c1-3-33-25(32)19-9-7-18(8-10-19)23-17(2)22(24(31)28-29-15-5-4-6-16-29)27-30(23)21-13-11-20(26)12-14-21/h7-14H,3-6,15-16H2,1-2H3,(H,28,31)