2-[4-[[(3R,5S)-3,5-bis(pyridin-2-ylmethylamino)cyclohexyl]-(pyridin-2-ylmethyl)amino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[[(3R,5S)-3,5-bis(pyridin-2-ylmethylamino)cyclohexyl]-(pyridin-2-ylmethyl)amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[[(3R,5S)-3,5-bis(2-pyridylmethylamino)cyclohexyl]-(2-pyridylmethyl)amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[[(3R,5S)-3,5-bis(2-pyridinylmethylamino)cyclohexyl]-(2-pyridinylmethyl)amino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[[(3R,5S)-3,5-bis(pyridin-2-ylmethylamino)cyclohexyl]-(pyridin-2-ylmethyl)amino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[[(3R,5S)-3,5-bis(2-pyridylmethylamino)cyclohexyl]-(2-pyridylmethyl)amino]butyl]isoindoline-1,3-quinone Formula: C36H41N7O2 MolecularWeight: 603.75644

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(CC1NCC2=CC=CC=N2)N(CCCCN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=N5)NCC6=CC=CC=N6

Isomeric SMILES

C1[C@H](CC(C[C@H]1NCC2=CC=CC=N2)N(CCCCN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=N5)NCC6=CC=CC=N6

InChI

InChI=1S/C36H41N7O2/c44-35-33-14-1-2-15-34(33)36(45)43(35)20-10-9-19-42(26-29-13-5-8-18-39-29)32-22-30(40-24-27-11-3-6-16-37-27)21-31(23-32)41-25-28-12-4-7-17-38-28/h1-8,11-18,30-32,40-41H,9-10,19-26H2/t30-,31+,32?