6-chloranyl-4-[1-(3-fluoranyl-4-oxidanyl-phenyl)ethyl-piperidin-4-yl-amino]chromen-2-one

Systemtic Name: 6-chloranyl-4-[1-(3-fluoranyl-4-oxidanyl-phenyl)ethyl-piperidin-4-yl-amino]chromen-2-one Openeye Name: 6-chloro-4-[1-(3-fluoro-4-hydroxy-phenyl)ethyl-(4-piperidyl)amino]chromen-2-one CAS Name: 6-chloro-4-[1-(3-fluoro-4-hydroxyphenyl)ethyl-(4-piperidinyl)amino]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[1-(3-fluoro-4-hydroxyphenyl)ethyl-piperidin-4-ylamino]chromen-2-one Traditional Name: 6-chloro-4-[1-(3-fluoro-4-hydroxy-phenyl)ethyl-(4-piperidyl)amino]coumarin Formula: C22H22ClFN2O3 MolecularWeight: 416.873083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)O)F)N(C2CCNCC2)C3=CC(=O)OC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC(C1=CC(=C(C=C1)O)F)N(C2CCNCC2)C3=CC(=O)OC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C22H22ClFN2O3/c1-13(14-2-4-20(27)18(24)10-14)26(16-6-8-25-9-7-16)19-12-22(28)29-21-5-3-15(23)11-17(19)21/h2-5,10-13,16,25,27H,6-9H2,1H3