8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-yl-9H-xanthen-9-yl)-8-azabicyclo[3.2.1]octane

Systemtic Name: 8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-yl-9H-xanthen-9-yl)-8-azabicyclo[3.2.1]octane Openeye Name: 8-(2-pyridylmethyl)-3-[3-(4-pyridyl)-9H-xanthen-9-yl]-8-azabicyclo[3.2.1]octane CAS Name: 8-(2-pyridinylmethyl)-3-(3-pyridin-4-yl-9H-xanthen-9-yl)-8-azabicyclo[3.2.1]octane IUPAC Name: 8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-yl-9H-xanthen-9-yl)-8-azabicyclo[3.2.1]octane Traditional Name: 8-(2-pyridylmethyl)-3-[3-(4-pyridyl)-9H-xanthen-9-yl]-8-azabicyclo[3.2.1]octane Formula: C31H29N3O MolecularWeight: 459.58146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2CC3=CC=CC=N3)C4C5=C(C=C(C=C5)C6=CC=NC=C6)OC7=CC=CC=C47

Isomeric SMILES

C1CC2CC(CC1N2CC3=CC=CC=N3)C4C5=C(C=C(C=C5)C6=CC=NC=C6)OC7=CC=CC=C47

InChI

InChI=1S/C31H29N3O/c1-2-7-29-27(6-1)31(28-11-8-22(19-30(28)35-29)21-12-15-32-16-13-21)23-17-25-9-10-26(18-23)34(25)20-24-5-3-4-14-33-24/h1-8,11-16,19,23,25-26,31H,9-10,17-18,20H2