2-[2-(1,3-dioxan-2-yl)ethyl]-7-methyl-1-(phenylmethyl)azepane

Systemtic Name: 2-[2-(1,3-dioxan-2-yl)ethyl]-7-methyl-1-(phenylmethyl)azepane Openeye Name: 1-benzyl-2-[2-(1,3-dioxan-2-yl)ethyl]-7-methyl-azepane CAS Name: 2-[2-(1,3-dioxan-2-yl)ethyl]-7-methyl-1-(phenylmethyl)azepane IUPAC Name: 1-benzyl-2-[2-(1,3-dioxan-2-yl)ethyl]-7-methylazepane Traditional Name: 1-benzyl-2-[2-(1,3-dioxan-2-yl)ethyl]-7-methyl-azepane Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC(N1CC2=CC=CC=C2)CCC3OCCCO3

Isomeric SMILES

CC1CCCCC(N1CC2=CC=CC=C2)CCC3OCCCO3

InChI

InChI=1S/C20H31NO2/c1-17-8-5-6-11-19(12-13-20-22-14-7-15-23-20)21(17)16-18-9-3-2-4-10-18/h2-4,9-10,17,19-20H,5-8,11-16H2,1H3