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

Systemtic Name: (7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-thiophen-3-yl-methanamine Openeye Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-thienyl)methanamine CAS Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-thiophenyl)methanamine IUPAC Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-thiophen-3-ylmethanamine Traditional Name: [(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-thienyl)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=CSC=C3)N)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(C3=CSC=C3)N)Br)OC1

InChI

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