N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-thiophen-2-yl-propan-2-amine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-thiophen-2-yl-propan-2-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-(2-thienyl)propan-2-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-thiophen-2-yl-2-propanamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-thiophen-2-ylpropan-2-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl-[1-methyl-2-(2-thienyl)ethyl]amine Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)NCC2=C3C(=CC=C2)OCCCO3

Isomeric SMILES

CC(CC1=CC=CS1)NCC2=C3C(=CC=C2)OCCCO3

InChI

InChI=1S/C17H21NO2S/c1-13(11-15-6-3-10-21-15)18-12-14-5-2-7-16-17(14)20-9-4-8-19-16/h2-3,5-7,10,13,18H,4,8-9,11-12H2,1H3