(4-bromophenyl)-[4-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazino]methanone Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@@H](CN2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H25BrN2O3/c1-16-3-2-4-20(13-16)27-15-19(25)14-23-9-11-24(12-10-23)21(26)17-5-7-18(22)8-6-17/h2-8,13,19,25H,9-12,14-15H2,1H3/t19-/m1/s1