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

Systemtic Name: 1-(3-bromanylphenoxy)-3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-(3-bromophenoxy)-3-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-(3-bromophenoxy)-3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-(3-bromophenoxy)-3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-2-ol Traditional Name: 1-(3-bromophenoxy)-3-[4-(4-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=C(C=C1)CN2CCCN(CC2)CC(COC3=CC(=CC=C3)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)CC(COC3=CC(=CC=C3)Br)O

InChI

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