tert-butyl 4-[5,6-dimethyl-3-(phenoxycarbonylamino)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5,6-dimethyl-3-(phenoxycarbonylamino)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5,6-dimethyl-3-(phenoxycarbonylamino)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5,6-dimethyl-3-[[oxo(phenoxy)methyl]amino]-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5,6-dimethyl-3-(phenoxycarbonylamino)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(carbophenoxyamino)-5,6-dimethyl-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1C)N2CCN(CC2)C(=O)OC(C)(C)C)NC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N=C1C)N2CCN(CC2)C(=O)OC(C)(C)C)NC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4/c1-16-15-19(25-21(28)30-18-9-7-6-8-10-18)20(24-17(16)2)26-11-13-27(14-12-26)22(29)31-23(3,4)5/h6-10,15H,11-14H2,1-5H3,(H,25,28)