ethyl 2-[(3S)-3-(cyanomethyl)-4-(phenylmethyl)piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-3-(cyanomethyl)-4-(phenylmethyl)piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[(3S)-4-benzyl-3-(cyanomethyl)piperazin-1-yl]acetate CAS Name: 2-[(3S)-3-(cyanomethyl)-4-(phenylmethyl)-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-4-benzyl-3-(cyanomethyl)piperazin-1-yl]acetate Traditional Name: 2-[(3S)-4-benzyl-3-(cyanomethyl)piperazino]acetic acid ethyl ester Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1)CC#N)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN1CCN([C@H](C1)CC#N)CC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O2/c1-2-22-17(21)14-19-10-11-20(16(13-19)8-9-18)12-15-6-4-3-5-7-15/h3-7,16H,2,8,10-14H2,1H3/t16-/m0/s1