3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-diazepan-1-yl]-1-cyclopentyl-1-phenyl-propane-1,2-diol

Systemtic Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-diazepan-1-yl]-1-cyclopentyl-1-phenyl-propane-1,2-diol Openeye Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-diazepan-1-yl]-1-cyclopentyl-1-phenyl-propane-1,2-diol CAS Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-diazepan-1-yl]-1-cyclopentyl-1-phenylpropane-1,2-diol IUPAC Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-diazepan-1-yl]-1-cyclopentyl-1-phenylpropane-1,2-diol Traditional Name: 1-cyclopentyl-3-(4-homopiperonyl-1,4-diazepan-1-yl)-1-phenyl-propane-1,2-diol Formula: C28H38N2O4 MolecularWeight: 466.61232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(CN3CCCN(CC3)CCC4=CC5=C(C=C4)OCO5)O)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(CN3CCCN(CC3)CCC4=CC5=C(C=C4)OCO5)O)O

InChI

InChI=1S/C28H38N2O4/c31-27(28(32,24-9-4-5-10-24)23-7-2-1-3-8-23)20-30-15-6-14-29(17-18-30)16-13-22-11-12-25-26(19-22)34-21-33-25/h1-3,7-8,11-12,19,24,27,31-32H,4-6,9-10,13-18,20-21H2