ethyl 4-[[1-(3-chloranyl-2-methyl-phenyl)-5-piperidin-4-yl-pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(3-chloranyl-2-methyl-phenyl)-5-piperidin-4-yl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(3-chloro-2-methyl-phenyl)-5-(4-piperidyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(3-chloro-2-methylphenyl)-5-(4-piperidinyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-chloro-2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3-chloro-2-methyl-phenyl)-5-(4-piperidyl)pyrazole-4-carbonyl]amino]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)NC(=O)C2=C(N(N=C2)C3=C(C(=CC=C3)Cl)C)C4CCNCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=C(C(=CC=C3)Cl)C)C4CCNCC4

InChI

InChI=1S/C25H27ClN4O3/c1-3-33-25(32)18-7-9-19(10-8-18)29-24(31)20-15-28-30(22-6-4-5-21(26)16(22)2)23(20)17-11-13-27-14-12-17/h4-10,15,17,27H,3,11-14H2,1-2H3,(H,29,31)