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

Systemtic Name: 2-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 2-[(1S)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 2-[(2S)-1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 2-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 2-[(1S)-2-(4-ethylpiperazino)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)OC2=CC=CC=C2C#N

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)OC2=CC=CC=C2C#N

InChI

InChI=1S/C16H21N3O2/c1-3-18-8-10-19(11-9-18)16(20)13(2)21-15-7-5-4-6-14(15)12-17/h4-7,13H,3,8-11H2,1-2H3/t13-/m0/s1