3-[2-(3-methylphenoxy)phenyl]-1-[(2R)-2-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[2-(3-methylphenoxy)phenyl]-1-[(2R)-2-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[(2R)-2-benzylpiperazin-1-yl]-3-[2-(3-methylphenoxy)phenyl]propan-1-one CAS Name: 3-[2-(3-methylphenoxy)phenyl]-1-[(2R)-2-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-[(2R)-2-benzylpiperazin-1-yl]-3-[2-(3-methylphenoxy)phenyl]propan-1-one Traditional Name: 1-[(2R)-2-benzylpiperazino]-3-[2-(3-methylphenoxy)phenyl]propan-1-one Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=CC=C2CCC(=O)N3CCNCC3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=CC=C2CCC(=O)N3CCNC[C@H]3CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-21-8-7-12-25(18-21)31-26-13-6-5-11-23(26)14-15-27(30)29-17-16-28-20-24(29)19-22-9-3-2-4-10-22/h2-13,18,24,28H,14-17,19-20H2,1H3/t24-/m1/s1