3-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-4,5-dihydro-3H-2-benzoxepin-1-one

Systemtic Name: 3-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-4,5-dihydro-3H-2-benzoxepin-1-one Openeye Name: 3-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-4,5-dihydro-3H-2-benzoxepin-1-one CAS Name: 3-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-4,5-dihydro-3H-2-benzoxepin-1-one IUPAC Name: 3-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-4,5-dihydro-3H-2-benzoxepin-1-one Traditional Name: 3-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-4,5-dihydro-3H-2-benzoxepin-1-one Formula: C26H20ClNO3 MolecularWeight: 429.8949

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=O)OC1C3=CC(=CC=C3)OCC4=NC5=C(C=CC(=C5)Cl)C=C4

Isomeric SMILES

C1CC2=CC=CC=C2C(=O)OC1C3=CC(=CC=C3)OCC4=NC5=C(C=CC(=C5)Cl)C=C4

InChI

InChI=1S/C26H20ClNO3/c27-20-11-8-18-9-12-21(28-24(18)15-20)16-30-22-6-3-5-19(14-22)25-13-10-17-4-1-2-7-23(17)26(29)31-25/h1-9,11-12,14-15,25H,10,13,16H2