N,N-diethyl-9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboximidamide

Systemtic Name: N,N-diethyl-9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboximidamide Openeye Name: N,N-diethyl-9-[8-(2-pyridylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboxamidine CAS Name: N,N-diethyl-9-[8-(2-pyridinylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboximidamide IUPAC Name: N,N-diethyl-9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboximidamide Traditional Name: N,N-diethyl-9-[8-(2-pyridylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthene-3-carboxamidine Formula: C31H36N4O MolecularWeight: 480.64374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=N)C1=CC2=C(C=C1)C(C3=CC=CC=C3O2)C4CC5CCC(C4)N5CC6=CC=CC=N6

Isomeric SMILES

CCN(CC)C(=N)C1=CC2=C(C=C1)C(C3=CC=CC=C3O2)C4CC5CCC(C4)N5CC6=CC=CC=N6

InChI

InChI=1S/C31H36N4O/c1-3-34(4-2)31(32)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)35(24)20-23-9-7-8-16-33-23/h5-12,15-16,19,22,24-25,30,32H,3-4,13-14,17-18,20H2,1-2H3