3-[azanyl-(2-phenylcyclohexyl)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride

Systemtic Name: 3-[azanyl-(2-phenylcyclohexyl)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride Openeye Name: 3-[amino-(2-phenylcyclohexyl)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride CAS Name: 3-[amino-(2-phenylcyclohexyl)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride IUPAC Name: 3-[amino-(2-phenylcyclohexyl)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride Traditional Name: 3-[amino-(2-phenylcyclohexyl)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=CC=C2)C(C3(COC4=CC=CC=C4OC3)O)N.Cl

Isomeric SMILES

C1CCC(C(C1)C2=CC=CC=C2)C(C3(COC4=CC=CC=C4OC3)O)N.Cl

InChI

InChI=1S/C22H27NO3.ClH/c23-21(18-11-5-4-10-17(18)16-8-2-1-3-9-16)22(24)14-25-19-12-6-7-13-20(19)26-15-22;/h1-3,6-9,12-13,17-18,21,24H,4-5,10-11,14-15,23H2;1H