2-spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-ylidenecyclohexane-1,3-dione

Systemtic Name: 2-spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-ylidenecyclohexane-1,3-dione Openeye Name: 2-spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-ylidenecyclohexane-1,3-dione CAS Name: 2-(1-spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]ylidene)cyclohexane-1,3-dione IUPAC Name: 2-spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-ylidenecyclohexane-1,3-dione Traditional Name: 2-spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-ylidenecyclohexane-1,3-quinone Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2(CC1)CC3=CC=CC=C3C(=C4C(=O)CCCC4=O)N2

Isomeric SMILES

C1CCCC2(CC1)CC3=CC=CC=C3C(=C4C(=O)CCCC4=O)N2

InChI

InChI=1S/C21H25NO2/c23-17-10-7-11-18(24)19(17)20-16-9-4-3-8-15(16)14-21(22-20)12-5-1-2-6-13-21/h3-4,8-9,22H,1-2,5-7,10-14H2