tert-butyl [2-methoxy-4-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] carbonate

Systemtic Name: tert-butyl [2-methoxy-4-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] carbonate Openeye Name: tert-butyl [2-methoxy-4-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-methoxy-4-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] ester IUPAC Name: tert-butyl [2-methoxy-4-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-methoxy-4-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] ester Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC(=C(C=C3)OC(=O)OC(C)(C)C)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC(=C(C=C3)OC(=O)OC(C)(C)C)OC

InChI

InChI=1S/C25H35N3O4/c1-19-8-6-9-21(26-19)18-28-13-7-12-27(14-15-28)17-20-10-11-22(23(16-20)30-5)31-24(29)32-25(2,3)4/h6,8-11,16H,7,12-15,17-18H2,1-5H3