methyl 4-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidyl]methyl]benzoate CAS Name: 4-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidino]methyl]benzoic acid methyl ester Formula: C23H24ClN3O2 MolecularWeight: 409.90856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCC(C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCC(C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN3O2/c1-29-23(28)18-6-4-16(5-7-18)14-27-12-2-3-19(15-27)22-21(13-25-26-22)17-8-10-20(24)11-9-17/h4-11,13,19H,2-3,12,14-15H2,1H3,(H,25,26)