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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)heptan-2-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)heptan-2-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-heptanamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)heptan-2-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(1-methylhexyl)amine Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NCC1=C2C(=CC=C1)OCCCO2

Isomeric SMILES

CCCCCC(C)NCC1=C2C(=CC=C1)OCCCO2

InChI

InChI=1S/C17H27NO2/c1-3-4-5-8-14(2)18-13-15-9-6-10-16-17(15)20-12-7-11-19-16/h6,9-10,14,18H,3-5,7-8,11-13H2,1-2H3