tert-butyl 3-[4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phenyl]propanoate

Systemtic Name: tert-butyl 3-[4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phenyl]propanoate Openeye Name: tert-butyl 3-[4-[4-(5-cyano-2-pyridyl)piperazin-1-yl]phenyl]propanoate CAS Name: 3-[4-[4-(5-cyano-2-pyridinyl)-1-piperazinyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(5-cyano-2-pyridyl)piperazino]phenyl]propionic acid tert-butyl ester Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C23H28N4O2/c1-23(2,3)29-22(28)11-7-18-4-8-20(9-5-18)26-12-14-27(15-13-26)21-10-6-19(16-24)17-25-21/h4-6,8-10,17H,7,11-15H2,1-3H3