8-chloranyl-7-fluoranyl-3,3-dimethyl-5-oxidanylidene-N-pyridin-2-yl-2,4-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: 8-chloranyl-7-fluoranyl-3,3-dimethyl-5-oxidanylidene-N-pyridin-2-yl-2,4-dihydro-1-benzoxepine-4-carboxamide Openeye Name: 8-chloro-7-fluoro-3,3-dimethyl-5-oxo-N-(2-pyridyl)-2,4-dihydro-1-benzoxepine-4-carboxamide CAS Name: 8-chloro-7-fluoro-3,3-dimethyl-5-oxo-N-(2-pyridinyl)-2,4-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 8-chloro-7-fluoro-3,3-dimethyl-5-oxo-N-pyridin-2-yl-2,4-dihydro-1-benzoxepine-4-carboxamide Traditional Name: 8-chloro-7-fluoro-5-keto-3,3-dimethyl-N-(2-pyridyl)-2,4-dihydro-1-benzoxepin-4-carboxamide Formula: C18H16ClFN2O3 MolecularWeight: 362.782643

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC(=C(C=C2C(=O)C1C(=O)NC3=CC=CC=N3)F)Cl)C

Isomeric SMILES

CC1(COC2=CC(=C(C=C2C(=O)C1C(=O)NC3=CC=CC=N3)F)Cl)C

InChI

InChI=1S/C18H16ClFN2O3/c1-18(2)9-25-13-8-11(19)12(20)7-10(13)16(23)15(18)17(24)22-14-5-3-4-6-21-14/h3-8,15H,9H2,1-2H3,(H,21,22,24)