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

Systemtic Name: 1-cyclopentyl-3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,4-diazepan-1-yl]-1-phenyl-propane-1,2-diol Openeye Name: 1-cyclopentyl-3-[4-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-1,4-diazepan-1-yl]-1-phenyl-propane-1,2-diol CAS Name: 1-cyclopentyl-3-[4-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-1,4-diazepan-1-yl]-1-phenylpropane-1,2-diol IUPAC Name: 1-cyclopentyl-3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,4-diazepan-1-yl]-1-phenylpropane-1,2-diol Traditional Name: 3-[4-(2-coumaran-5-ylethyl)-1,4-diazepan-1-yl]-1-cyclopentyl-1-phenyl-propane-1,2-diol Formula: C29H40N2O3 MolecularWeight: 464.6395

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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)OCC5)O)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(CN3CCCN(CC3)CCC4=CC5=C(C=C4)OCC5)O)O

InChI

InChI=1S/C29H40N2O3/c32-28(29(33,26-9-4-5-10-26)25-7-2-1-3-8-25)22-31-16-6-15-30(18-19-31)17-13-23-11-12-27-24(21-23)14-20-34-27/h1-3,7-8,11-12,21,26,28,32-33H,4-6,9-10,13-20,22H2