ethyl 4-[[1-(3,4-dimethylphenyl)-5-piperidin-4-yl-pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(3,4-dimethylphenyl)-5-piperidin-4-yl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(3,4-dimethylphenyl)-5-(4-piperidyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(3,4-dimethylphenyl)-5-(4-piperidinyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3,4-dimethylphenyl)-5-(4-piperidyl)pyrazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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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=CC(=C(C=C3)C)C)C4CCNCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-4-33-26(32)20-6-8-21(9-7-20)29-25(31)23-16-28-30(22-10-5-17(2)18(3)15-22)24(23)19-11-13-27-14-12-19/h5-10,15-16,19,27H,4,11-14H2,1-3H3,(H,29,31)