1-[2-(3,3,3-triphenylpropoxy)ethyl]azepane

Systemtic Name: 1-[2-(3,3,3-triphenylpropoxy)ethyl]azepane Openeye Name: 1-[2-(3,3,3-triphenylpropoxy)ethyl]azepane CAS Name: 1-[2-(3,3,3-triphenylpropoxy)ethyl]azepane IUPAC Name: 1-[2-(3,3,3-triphenylpropoxy)ethyl]azepane Traditional Name: 1-[2-(3,3,3-triphenylpropoxy)ethyl]azepane Formula: C29H35NO MolecularWeight: 413.5943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOCCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCOCCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H35NO/c1-2-13-22-30(21-12-1)23-25-31-24-20-29(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,14-19H,1-2,12-13,20-25H2