N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-chloranyl-6-fluoranyl-4-oxidanylidene-1H-quinoline-2-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-chloranyl-6-fluoranyl-4-oxidanylidene-1H-quinoline-2-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-chloro-6-fluoro-4-oxo-1H-quinoline-2-carboxamide Traditional Name: 7-chloro-6-fluoro-4-keto-N-(1-piperonyl-4-piperidyl)-1H-quinoline-2-carboxamide Formula: C23H21ClFN3O4 MolecularWeight: 457.881943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=O)C3=CC(=C(C=C3N2)Cl)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=O)C3=CC(=C(C=C3N2)Cl)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21ClFN3O4/c24-16-9-18-15(8-17(16)25)20(29)10-19(27-18)23(30)26-14-3-5-28(6-4-14)11-13-1-2-21-22(7-13)32-12-31-21/h1-2,7-10,14H,3-6,11-12H2,(H,26,30)(H,27,29)