9-[8-(isoquinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol

Systemtic Name: 9-[8-(isoquinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol Openeye Name: 9-[8-(5-isoquinolylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol CAS Name: 9-[8-(5-isoquinolinylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]-4-xanthenol IUPAC Name: 9-[8-(isoquinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol Traditional Name: 9-[8-(5-isoquinolylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol Formula: C30H26N2O2 MolecularWeight: 446.53964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=C3C4=C(C(=CC=C4)O)OC5=CC=CC=C53)CC1N2CC6=CC=CC7=C6C=CN=C7

Isomeric SMILES

C1CC2CC(=C3C4=C(C(=CC=C4)O)OC5=CC=CC=C53)CC1N2CC6=CC=CC7=C6C=CN=C7

InChI

InChI=1S/C30H26N2O2/c33-27-9-4-8-26-29(25-7-1-2-10-28(25)34-30(26)27)21-15-22-11-12-23(16-21)32(22)18-20-6-3-5-19-17-31-14-13-24(19)20/h1-10,13-14,17,22-23,33H,11-12,15-16,18H2