tert-butyl 4-(2-oxidanyl-1-phenyl-2,2-dipyridin-3-yl-ethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-oxidanyl-1-phenyl-2,2-dipyridin-3-yl-ethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-hydroxy-1-phenyl-2,2-bis(3-pyridyl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-hydroxy-1-phenyl-2,2-bis(3-pyridinyl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)piperazine-1-carboxylate Traditional Name: 4-[2-hydroxy-1-phenyl-2,2-bis(3-pyridyl)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C(C3=CN=CC=C3)(C4=CN=CC=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C(C3=CN=CC=C3)(C4=CN=CC=C4)O

InChI

InChI=1S/C27H32N4O3/c1-26(2,3)34-25(32)31-17-15-30(16-18-31)24(21-9-5-4-6-10-21)27(33,22-11-7-13-28-19-22)23-12-8-14-29-20-23/h4-14,19-20,24,33H,15-18H2,1-3H3