2-[4-(4-cyanophenyl)-1,2-diethyl-4-piperazin-1-yl-piperidin-3-yl]ethanoate

Systemtic Name: 2-[4-(4-cyanophenyl)-1,2-diethyl-4-piperazin-1-yl-piperidin-3-yl]ethanoate Openeye Name: 2-[4-(4-cyanophenyl)-1,2-diethyl-4-piperazin-1-yl-3-piperidyl]acetate CAS Name: 2-[4-(4-cyanophenyl)-1,2-diethyl-4-(1-piperazinyl)-3-piperidinyl]acetate IUPAC Name: 2-[4-(4-cyanophenyl)-1,2-diethyl-4-piperazin-1-ylpiperidin-3-yl]acetate Traditional Name: 2-[4-(4-cyanophenyl)-1,2-diethyl-4-piperazino-3-piperidyl]acetate Formula: C22H31N4O2- MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(CCN1CC)(C2=CC=C(C=C2)C#N)N3CCNCC3)CC(=O)[O-]

Isomeric SMILES

CCC1C(C(CCN1CC)(C2=CC=C(C=C2)C#N)N3CCNCC3)CC(=O)[O-]

InChI

InChI=1S/C22H32N4O2/c1-3-20-19(15-21(27)28)22(9-12-25(20)4-2,26-13-10-24-11-14-26)18-7-5-17(16-23)6-8-18/h5-8,19-20,24H,3-4,9-15H2,1-2H3,(H,27,28)/p-1