tert-butyl 4-(2-methoxycarbonyl-4-pyridin-4-yl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methoxycarbonyl-4-pyridin-4-yl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-methoxycarbonyl-4-(4-pyridyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[(2-methoxycarbonyl-4-pyridin-4-ylphenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methoxycarbonyl-4-pyridin-4-ylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-[2-carbomethoxy-4-(4-pyridyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O5/c1-23(2,3)31-22(29)26-13-11-25(12-14-26)20(27)18-6-5-17(15-19(18)21(28)30-4)16-7-9-24-10-8-16/h5-10,15H,11-14H2,1-4H3