N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-thiophen-2-yl-ethanamine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-thiophen-2-yl-ethanamine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-thienyl)ethanamine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-thiophen-2-ylethanamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-thiophen-2-ylethanamine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[2-(2-thienyl)ethyl]amine Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNCCC3=CC=CS3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNCCC3=CC=CS3)Cl)OC1

InChI

InChI=1S/C16H18ClNO2S/c17-14-9-12(10-15-16(14)20-7-2-6-19-15)11-18-5-4-13-3-1-8-21-13/h1,3,8-10,18H,2,4-7,11H2