5,5-dimethyl-2-spiro[4H-isoquinoline-3,1'-cycloheptane]-1-yl-cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-spiro[4H-isoquinoline-3,1'-cycloheptane]-1-yl-cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-spiro[4H-isoquinoline-3,1'-cycloheptane]-1-yl-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-(1-spiro[4H-isoquinoline-3,1'-cycloheptane]yl)cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-spiro[4H-isoquinoline-3,1'-cycloheptane]-1-ylcyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-spiro[4H-isoquinoline-3,1'-cycloheptane]-1-yl-cyclohexane-1,3-quinone Formula: C23H29NO2 MolecularWeight: 351.48186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C2=NC3(CCCCCC3)CC4=CC=CC=C42)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C2=NC3(CCCCCC3)CC4=CC=CC=C42)C

InChI

InChI=1S/C23H29NO2/c1-22(2)14-18(25)20(19(26)15-22)21-17-10-6-5-9-16(17)13-23(24-21)11-7-3-4-8-12-23/h5-6,9-10,20H,3-4,7-8,11-15H2,1-2H3