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

Systemtic Name: 4-[[1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]piperidin-4-yl]amino]-6-methoxy-chromen-2-one Openeye Name: 4-[[1-[(3-chloro-4-fluoro-phenyl)methyl]-4-piperidyl]amino]-6-methoxy-chromen-2-one CAS Name: 4-[[1-[(3-chloro-4-fluorophenyl)methyl]-4-piperidinyl]amino]-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]amino]-6-methoxychromen-2-one Traditional Name: 4-[[1-(3-chloro-4-fluoro-benzyl)-4-piperidyl]amino]-6-methoxy-coumarin Formula: C22H22ClFN2O3 MolecularWeight: 416.873083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2NC3CCN(CC3)CC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2NC3CCN(CC3)CC4=CC(=C(C=C4)F)Cl

InChI

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