4-azanyl-5-bromanyl-2-methoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

Systemtic Name: 4-azanyl-5-bromanyl-2-methoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide Openeye Name: 4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-methoxy-benzamide CAS Name: 4-amino-5-bromo-2-methoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide IUPAC Name: 4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-methoxybenzamide Traditional Name: 4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-methoxy-benzamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Br)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Br)N

InChI

InChI=1S/C22H26BrN3O2/c1-28-21-12-20(24)19(23)11-18(21)22(27)25-15-9-16-7-8-17(10-15)26(16)13-14-5-3-2-4-6-14/h2-6,11-12,15-17H,7-10,13,24H2,1H3,(H,25,27)