3-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylchromen-2-one

Systemtic Name: 3-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylchromen-2-one Openeye Name: 3-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylchromen-2-one CAS Name: 3-(1-spiro[4H-isoquinoline-3,1'-cyclohexane]yl)-1-benzopyran-2-one IUPAC Name: 3-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylchromen-2-one Traditional Name: 3-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylcoumarin Formula: C23H21NO2 MolecularWeight: 343.41834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C(=N2)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C(=N2)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C23H21NO2/c25-22-19(14-16-8-3-5-11-20(16)26-22)21-18-10-4-2-9-17(18)15-23(24-21)12-6-1-7-13-23/h2-5,8-11,14H,1,6-7,12-13,15H2