tert-butyl 4-[[2-[(4-methoxyphenyl)methylamino]pyridin-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(4-methoxyphenyl)methylamino]pyridin-3-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(4-methoxyphenyl)methylamino]-3-pyridyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(4-methoxyphenyl)methylamino]pyridin-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(p-anisylamino)-3-pyridyl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(N=CC=C2)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(N=CC=C2)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H32N4O3/c1-23(2,3)30-22(28)27-14-12-26(13-15-27)17-19-6-5-11-24-21(19)25-16-18-7-9-20(29-4)10-8-18/h5-11H,12-17H2,1-4H3,(H,24,25)