N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-yl]pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide Traditional Name: 2-[4-(4-chloro-2-fluoro-benzoyl)piperazino]-N-piperonyl-nicotinamide Formula: C25H22ClFN4O4 MolecularWeight: 496.917983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=C(C=C(C=C5)Cl)F

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=C(C=C(C=C5)Cl)F

InChI

InChI=1S/C25H22ClFN4O4/c26-17-4-5-18(20(27)13-17)25(33)31-10-8-30(9-11-31)23-19(2-1-7-28-23)24(32)29-14-16-3-6-21-22(12-16)35-15-34-21/h1-7,12-13H,8-11,14-15H2,(H,29,32)