(2S)-2-(3,4-dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-phenylpiperazino)butan-1-one Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H28N2O2/c1-4-21(26-20-11-10-17(2)18(3)16-20)22(25)24-14-12-23(13-15-24)19-8-6-5-7-9-19/h5-11,16,21H,4,12-15H2,1-3H3/t21-/m0/s1