1-(4-bromanylphenoxy)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-2-ol

Systemtic Name: 1-(4-bromanylphenoxy)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-(4-bromophenoxy)-3-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-(4-bromophenoxy)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-(4-bromophenoxy)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-2-ol Traditional Name: 1-(4-bromophenoxy)-3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]propan-2-ol Formula: C22H29BrN2O2 MolecularWeight: 433.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)CC(COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C22H29BrN2O2/c1-18-5-2-3-6-19(18)15-24-11-4-12-25(14-13-24)16-21(26)17-27-22-9-7-20(23)8-10-22/h2-3,5-10,21,26H,4,11-17H2,1H3