3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoranyl-4-methyl-phenyl)methanamine

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoranyl-4-methyl-phenyl)methanamine Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoro-4-methyl-phenyl)methanamine CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoro-4-methylphenyl)methanamine IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoro-4-methylphenyl)methanamine Traditional Name: [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoro-4-methyl-phenyl)methyl]amine Formula: C17H18FNO2 MolecularWeight: 287.328723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCCCO3)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCCCO3)N)F

InChI

InChI=1S/C17H18FNO2/c1-11-3-4-12(9-14(11)18)17(19)13-5-6-15-16(10-13)21-8-2-7-20-15/h3-6,9-10,17H,2,7-8,19H2,1H3