2-[(5R,7S)-3-(1-methylcyclopropyl)-1-adamantyl]isoindole-1,3-dione

Systemtic Name: 2-[(5R,7S)-3-(1-methylcyclopropyl)-1-adamantyl]isoindole-1,3-dione Openeye Name: 2-[(5R,7S)-3-(1-methylcyclopropyl)-1-adamantyl]isoindoline-1,3-dione CAS Name: 2-[(5R,7S)-3-(1-methylcyclopropyl)-1-adamantyl]isoindole-1,3-dione IUPAC Name: 2-[(5R,7S)-3-(1-methylcyclopropyl)-1-adamantyl]isoindole-1,3-dione Traditional Name: 2-[(5R,7S)-3-(1-methylcyclopropyl)-1-adamantyl]isoindoline-1,3-quinone Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C23CC4CC(C2)CC(C4)(C3)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1(CC1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C22H25NO2/c1-20(6-7-20)21-9-14-8-15(10-21)12-22(11-14,13-21)23-18(24)16-4-2-3-5-17(16)19(23)25/h2-5,14-15H,6-13H2,1H3/t14-,15+,21?,22?