tert-butyl [2-methoxy-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] carbonate

Systemtic Name: tert-butyl [2-methoxy-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] carbonate Openeye Name: tert-butyl [2-methoxy-4-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-methoxy-4-[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] ester IUPAC Name: tert-butyl [2-methoxy-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-methoxy-4-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]phenyl] ester Formula: C24H33N3O4 MolecularWeight: 427.53652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CN=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C24H33N3O4/c1-24(2,3)31-23(28)30-21-9-8-19(15-22(21)29-4)17-26-11-6-12-27(14-13-26)18-20-7-5-10-25-16-20/h5,7-10,15-16H,6,11-14,17-18H2,1-4H3