4-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[(2S)-1-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(4-o-phenetylpiperazino)ethoxy]benzonitrile Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O3/c1-3-27-21-7-5-4-6-20(21)24-12-14-25(15-13-24)22(26)17(2)28-19-10-8-18(16-23)9-11-19/h4-11,17H,3,12-15H2,1-2H3/t17-/m0/s1