1-[3-(azepan-1-yl)-2-phenylmethoxy-propyl]azepane

Systemtic Name: 1-[3-(azepan-1-yl)-2-phenylmethoxy-propyl]azepane Openeye Name: 1-[3-(azepan-1-yl)-2-benzyloxy-propyl]azepane CAS Name: 1-[3-(1-azepanyl)-2-phenylmethoxypropyl]azepane IUPAC Name: 1-[3-(azepan-1-yl)-2-phenylmethoxypropyl]azepane Traditional Name: 1-[3-(azepan-1-yl)-2-benzoxy-propyl]azepane Formula: C22H36N2O MolecularWeight: 344.53404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(CN2CCCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CC(CN2CCCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H36N2O/c1-2-9-15-23(14-8-1)18-22(19-24-16-10-3-4-11-17-24)25-20-21-12-6-5-7-13-21/h5-7,12-13,22H,1-4,8-11,14-20H2