N-(3-chloranyl-4-methoxy-phenyl)-1-(3-fluorophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(3-fluorophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(3-fluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(3-fluorophenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-(3-fluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C22H22ClFN4O2 MolecularWeight: 428.887083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)C4CCNCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)C4CCNCC4)Cl

InChI

InChI=1S/C22H22ClFN4O2/c1-30-20-6-5-16(12-19(20)23)27-22(29)18-13-26-28(17-4-2-3-15(24)11-17)21(18)14-7-9-25-10-8-14/h2-6,11-14,25H,7-10H2,1H3,(H,27,29)