2-[(7-chloranyl-6-fluoranyl-quinolin-2-yl)methoxy]-11-oxidanyl-6,11-dihydrobenzo[c][1]benzoxepine-7-carbonitrile

Systemtic Name: 2-[(7-chloranyl-6-fluoranyl-quinolin-2-yl)methoxy]-11-oxidanyl-6,11-dihydrobenzo[c][1]benzoxepine-7-carbonitrile Openeye Name: 2-[(7-chloro-6-fluoro-2-quinolyl)methoxy]-11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepine-7-carbonitrile CAS Name: 2-[(7-chloro-6-fluoro-2-quinolinyl)methoxy]-11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepin-7-carbonitrile IUPAC Name: 2-[(7-chloro-6-fluoroquinolin-2-yl)methoxy]-11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepine-7-carbonitrile Traditional Name: 2-[(7-chloro-6-fluoro-2-quinolyl)methoxy]-11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepin-7-carbonitrile Formula: C25H16ClFN2O3 MolecularWeight: 446.857543

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=CC(=C(C=C5C=C4)F)Cl)O)C#N

Isomeric SMILES

C1C2=C(C=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=CC(=C(C=C5C=C4)F)Cl)O)C#N

InChI

InChI=1S/C25H16ClFN2O3/c26-21-10-23-14(8-22(21)27)4-5-16(29-23)12-31-17-6-7-24-19(9-17)25(30)18-3-1-2-15(11-28)20(18)13-32-24/h1-10,25,30H,12-13H2