7-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-cyclopentyl-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-cyclopentyl-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-cyclopentyl-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyclopentyl-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-cyclopentyl-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-cyclopentyl-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H22ClF3N2O2 MolecularWeight: 426.85979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C3CCCC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C3CCCC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H22ClF3N2O2/c1-28-18-9-13(19-17(22)10-15(11-26-19)21(23,24)25)8-14-12-27(6-7-29-20(14)18)16-4-2-3-5-16/h8-11,16H,2-7,12H2,1H3