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

Systemtic Name: (5-bromanylthiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine Openeye Name: (5-bromo-2-thienyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine CAS Name: (5-bromo-2-thiophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine IUPAC Name: (5-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine Traditional Name: [(5-bromo-2-thienyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]amine Formula: C14H14BrNO2S MolecularWeight: 340.23546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO2S/c15-13-5-4-12(19-13)14(16)9-2-3-10-11(8-9)18-7-1-6-17-10/h2-5,8,14H,1,6-7,16H2