9-(8-azabicyclo[3.2.1]octan-3-yl)-7-bromanyl-N,N-diethyl-9H-xanthene-3-carboxamide

Systemtic Name: 9-(8-azabicyclo[3.2.1]octan-3-yl)-7-bromanyl-N,N-diethyl-9H-xanthene-3-carboxamide Openeye Name: 9-(8-azabicyclo[3.2.1]octan-3-yl)-7-bromo-N,N-diethyl-9H-xanthene-3-carboxamide CAS Name: 9-(8-azabicyclo[3.2.1]octan-3-yl)-7-bromo-N,N-diethyl-9H-xanthene-3-carboxamide IUPAC Name: 9-(8-azabicyclo[3.2.1]octan-3-yl)-7-bromo-N,N-diethyl-9H-xanthene-3-carboxamide Traditional Name: 9-(8-azabicyclo[3.2.1]octan-3-yl)-7-bromo-N,N-diethyl-9H-xanthene-3-carboxamide Formula: C25H29BrN2O2 MolecularWeight: 469.41396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(C3=C(O2)C=CC(=C3)Br)C4CC5CCC(C4)N5

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(C3=C(O2)C=CC(=C3)Br)C4CC5CCC(C4)N5

InChI

InChI=1S/C25H29BrN2O2/c1-3-28(4-2)25(29)15-5-9-20-23(13-15)30-22-10-6-17(26)14-21(22)24(20)16-11-18-7-8-19(12-16)27-18/h5-6,9-10,13-14,16,18-19,24,27H,3-4,7-8,11-12H2,1-2H3