4-[[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[(2S)-2-ethylpiperidino]-2-keto-ethyl]piperazino]methyl]benzonitrile Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H30N4O/c1-2-20-5-3-4-10-25(20)21(26)17-24-13-11-23(12-14-24)16-19-8-6-18(15-22)7-9-19/h6-9,20H,2-5,10-14,16-17H2,1H3/t20-/m0/s1