(2S)-2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-2-(4-chloro-3-methyl-phenoxy)-1-[4-[2-(2-pyridyl)ethyl]piperazin-1-yl]propan-1-one CAS Name: (2S)-2-(4-chloro-3-methylphenoxy)-1-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one Traditional Name: (2S)-2-(4-chloro-3-methyl-phenoxy)-1-[4-[2-(2-pyridyl)ethyl]piperazino]propan-1-one Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C(=O)N2CCN(CC2)CCC3=CC=CC=N3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)O[C@@H](C)C(=O)N2CCN(CC2)CCC3=CC=CC=N3)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-16-15-19(6-7-20(16)22)27-17(2)21(26)25-13-11-24(12-14-25)10-8-18-5-3-4-9-23-18/h3-7,9,15,17H,8,10-14H2,1-2H3/t17-/m0/s1