3-(azepan-1-yl)-1-cyclopentyl-1-phenyl-propane-1,2-diol

Systemtic Name: 3-(azepan-1-yl)-1-cyclopentyl-1-phenyl-propane-1,2-diol Openeye Name: 3-(azepan-1-yl)-1-cyclopentyl-1-phenyl-propane-1,2-diol CAS Name: 3-(1-azepanyl)-1-cyclopentyl-1-phenylpropane-1,2-diol IUPAC Name: 3-(azepan-1-yl)-1-cyclopentyl-1-phenylpropane-1,2-diol Traditional Name: 3-(azepan-1-yl)-1-cyclopentyl-1-phenyl-propane-1,2-diol Formula: C20H31NO2 MolecularWeight: 317.46564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(C(C2CCCC2)(C3=CC=CC=C3)O)O

Isomeric SMILES

C1CCCN(CC1)CC(C(C2CCCC2)(C3=CC=CC=C3)O)O

InChI

InChI=1S/C20H31NO2/c22-19(16-21-14-8-1-2-9-15-21)20(23,18-12-6-7-13-18)17-10-4-3-5-11-17/h3-5,10-11,18-19,22-23H,1-2,6-9,12-16H2