5-(3-bromanyl-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

Systemtic Name: 5-(3-bromanyl-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane Openeye Name: 5-(3-bromo-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane CAS Name: 5-(3-bromo-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane IUPAC Name: 5-(3-bromo-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane Traditional Name: 5-(3-bromo-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane Formula: C21H23BrN2O MolecularWeight: 399.32412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1(CNC2)C3CC4=C(C=CC(=C4)Br)OC5=CC=CC=C35

Isomeric SMILES

CN1C2CCC1(CNC2)C3CC4=C(C=CC(=C4)Br)OC5=CC=CC=C35

InChI

InChI=1S/C21H23BrN2O/c1-24-16-8-9-21(24,13-23-12-16)18-11-14-10-15(22)6-7-19(14)25-20-5-3-2-4-17(18)20/h2-7,10,16,18,23H,8-9,11-13H2,1H3