tert-butyl 4-[6-cyano-3-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-cyano-3-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-cyano-3-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[6-cyano-3-[[(4-cyanophenyl)-(3-methyl-4-imidazolyl)methoxy]methyl]-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-cyano-3-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[6-cyano-3-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H31N7O3 MolecularWeight: 513.59084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C#N)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C#N)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

InChI

InChI=1S/C28H31N7O3/c1-28(2,3)38-27(36)35-13-11-34(12-14-35)26-22(9-10-23(16-30)32-26)18-37-25(24-17-31-19-33(24)4)21-7-5-20(15-29)6-8-21/h5-10,17,19,25H,11-14,18H2,1-4H3