N-butyl-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)butan-1-amine hydrochloride

Systemtic Name: N-butyl-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)butan-1-amine hydrochloride Openeye Name: N-butyl-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)butan-1-amine hydrochloride CAS Name: N-butyl-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1-butanamine hydrochloride IUPAC Name: N-butyl-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)butan-1-amine hydrochloride Traditional Name: dibutyl(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)amine hydrochloride Formula: C18H30ClNO2 MolecularWeight: 327.8893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1OCC2=CC=CC=C2CO1.Cl

Isomeric SMILES

CCCCN(CCCC)CC1OCC2=CC=CC=C2CO1.Cl

InChI

InChI=1S/C18H29NO2.ClH/c1-3-5-11-19(12-6-4-2)13-18-20-14-16-9-7-8-10-17(16)15-21-18;/h7-10,18H,3-6,11-15H2,1-2H3;1H