ethyl 1-[4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]carbonylphenyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]carbonylphenyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-(4-chlorophenyl)-4-hydroxy-piperidine-1-carbonyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-(4-chlorophenyl)-4-hydroxy-piperidine-1-carbonyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H28ClN3O4 MolecularWeight: 481.97122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O)C

InChI

InChI=1S/C26H28ClN3O4/c1-4-34-25(32)23-17(2)28-30(18(23)3)22-11-5-19(6-12-22)24(31)29-15-13-26(33,14-16-29)20-7-9-21(27)10-8-20/h5-12,33H,4,13-16H2,1-3H3