(3Z)-3-[(1-adamantylamino)methylidene]-1-heptyl-quinoline-2,4-dione

Systemtic Name: (3Z)-3-[(1-adamantylamino)methylidene]-1-heptyl-quinoline-2,4-dione Openeye Name: (3Z)-3-[(1-adamantylamino)methylene]-1-heptyl-quinoline-2,4-dione CAS Name: (3Z)-3-[(1-adamantylamino)methylidene]-1-heptylquinoline-2,4-dione IUPAC Name: (3Z)-3-[(1-adamantylamino)methylidene]-1-heptylquinoline-2,4-dione Traditional Name: (3Z)-3-[(1-adamantylamino)methylene]-1-heptyl-quinoline-2,4-quinone Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2C(=O)C(=CNC34CC5CC(C3)CC(C5)C4)C1=O

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2C(=O)/C(=C/NC34CC5CC(C3)CC(C5)C4)/C1=O

InChI

InChI=1S/C27H36N2O2/c1-2-3-4-5-8-11-29-24-10-7-6-9-22(24)25(30)23(26(29)31)18-28-27-15-19-12-20(16-27)14-21(13-19)17-27/h6-7,9-10,18-21,28H,2-5,8,11-17H2,1H3/b23-18-