methyl 4-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzoate Openeye Name: methyl 4-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-piperidyl]benzoate CAS Name: 4-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzoate Traditional Name: 4-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidino]benzoic acid methyl ester Formula: C22H21Cl2N3O2 MolecularWeight: 430.32704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O2/c1-29-22(28)15-2-5-17(6-3-15)27-10-8-14(9-11-27)20-13-21(26-25-20)18-7-4-16(23)12-19(18)24/h2-7,12-14H,8-11H2,1H3,(H,25,26)