5-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-fluoranyl-aniline

Systemtic Name: 5-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-fluoranyl-aniline Openeye Name: 5-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-fluoro-aniline CAS Name: 5-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-fluoroaniline IUPAC Name: 5-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-fluoroaniline Traditional Name: (5-bromo-2-fluoro-phenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)amine Formula: C16H15BrFNO2 MolecularWeight: 352.198203

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)CNC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)CNC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C16H15BrFNO2/c17-12-5-6-13(18)14(9-12)19-10-11-3-1-4-15-16(11)21-8-2-7-20-15/h1,3-6,9,19H,2,7-8,10H2