4-[(2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[(2S)-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2S)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[(1S)-2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)[C@H](C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22ClN3O2/c1-15-3-6-18(22)13-20(15)24-9-11-25(12-10-24)21(26)16(2)27-19-7-4-17(14-23)5-8-19/h3-8,13,16H,9-12H2,1-2H3/t16-/m0/s1