N,N-diethyl-9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide

Systemtic Name: N,N-diethyl-9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide Openeye Name: N,N-diethyl-9-[8-(2-pyridylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide CAS Name: N,N-diethyl-9-[8-(2-pyridinylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]-3-xanthenecarboxamide IUPAC Name: N,N-diethyl-9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide Traditional Name: N,N-diethyl-9-[8-(2-pyridylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide Formula: C31H33N3O2 MolecularWeight: 479.61262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4CC5=CC=CC=N5)C6=CC=CC=C6O2

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4CC5=CC=CC=N5)C6=CC=CC=C6O2

InChI

InChI=1S/C31H33N3O2/c1-3-33(4-2)31(35)21-12-15-27-29(19-21)36-28-11-6-5-10-26(28)30(27)22-17-24-13-14-25(18-22)34(24)20-23-9-7-8-16-32-23/h5-12,15-16,19,24-25H,3-4,13-14,17-18,20H2,1-2H3