1-[4-[(2R)-3-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[(2R)-3-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2R)-2-hydroxy-3-[4-(m-tolyl)piperazin-1-yl]propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2R)-2-hydroxy-3-[4-(3-methylphenyl)-1-piperazinyl]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2R)-2-hydroxy-3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2R)-2-hydroxy-3-[4-(m-tolyl)piperazino]propoxy]phenyl]propan-1-one Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC(=C3)C)O

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-3-23(27)19-7-9-22(10-8-19)28-17-21(26)16-24-11-13-25(14-12-24)20-6-4-5-18(2)15-20/h4-10,15,21,26H,3,11-14,16-17H2,1-2H3/t21-/m1/s1