4-[1-(azepan-2-yl)ethoxy]-3-methyl-2-phenyl-1-(phenylmethyl)indol-5-ol hydrochloride

Systemtic Name: 4-[1-(azepan-2-yl)ethoxy]-3-methyl-2-phenyl-1-(phenylmethyl)indol-5-ol hydrochloride Openeye Name: 4-[1-(azepan-2-yl)ethoxy]-1-benzyl-3-methyl-2-phenyl-indol-5-ol hydrochloride CAS Name: 4-[1-(2-azepanyl)ethoxy]-3-methyl-2-phenyl-1-(phenylmethyl)-5-indolol hydrochloride IUPAC Name: 4-[1-(azepan-2-yl)ethoxy]-1-benzyl-3-methyl-2-phenylindol-5-ol hydrochloride Traditional Name: 4-[1-(azepan-2-yl)ethoxy]-1-benzyl-3-methyl-2-phenyl-indol-5-ol hydrochloride Formula: C30H35ClN2O2 MolecularWeight: 491.0641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=C(C=C2)O)OC(C)C3CCCCCN3)CC4=CC=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

CC1=C(N(C2=C1C(=C(C=C2)O)OC(C)C3CCCCCN3)CC4=CC=CC=C4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C30H34N2O2.ClH/c1-21-28-26(17-18-27(33)30(28)34-22(2)25-16-10-5-11-19-31-25)32(20-23-12-6-3-7-13-23)29(21)24-14-8-4-9-15-24;/h3-4,6-9,12-15,17-18,22,25,31,33H,5,10-11,16,19-20H2,1-2H3;1H