tert-butyl 2-[4-(5-cyanopyridin-2-yl)-4-piperazin-1-yl-piperidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(5-cyanopyridin-2-yl)-4-piperazin-1-yl-piperidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(5-cyano-2-pyridyl)-4-piperazin-1-yl-1-piperidyl]acetate CAS Name: 2-[4-(5-cyano-2-pyridinyl)-4-(1-piperazinyl)-1-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(5-cyanopyridin-2-yl)-4-piperazin-1-ylpiperidin-1-yl]acetate Traditional Name: 2-[4-(5-cyano-2-pyridyl)-4-piperazino-piperidino]acetic acid tert-butyl ester Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC(CC1)(C2=NC=C(C=C2)C#N)N3CCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC(CC1)(C2=NC=C(C=C2)C#N)N3CCNCC3

InChI

InChI=1S/C21H31N5O2/c1-20(2,3)28-19(27)16-25-10-6-21(7-11-25,26-12-8-23-9-13-26)18-5-4-17(14-22)15-24-18/h4-5,15,23H,6-13,16H2,1-3H3