N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-ethynyl-aniline

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-ethynyl-aniline Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-ethynyl-aniline CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-ethynylaniline IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-ethynylaniline Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl-(3-ethynylphenyl)amine Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=C3C(=CC=C2)OCCCO3

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=C3C(=CC=C2)OCCCO3

InChI

InChI=1S/C18H17NO2/c1-2-14-6-3-8-16(12-14)19-13-15-7-4-9-17-18(15)21-11-5-10-20-17/h1,3-4,6-9,12,19H,5,10-11,13H2