(5-bromanylthiophen-2-yl)-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine

Systemtic Name: (5-bromanylthiophen-2-yl)-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine Openeye Name: (5-bromo-2-thienyl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine CAS Name: (5-bromo-2-thiophenyl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine IUPAC Name: (5-bromothiophen-2-yl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine Traditional Name: [(5-bromo-2-thienyl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]amine Formula: C14H13BrClNO2S MolecularWeight: 374.68052

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(C3=CC=C(S3)Br)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(C3=CC=C(S3)Br)N)Cl)OC1

InChI

InChI=1S/C14H13BrClNO2S/c15-13-3-2-12(20-13)14(17)8-6-10-11(7-9(8)16)19-5-1-4-18-10/h2-3,6-7,14H,1,4-5,17H2