7-[2-(1-azanylcyclohexyl)ethynyl]-1-methoxy-xanthen-9-one

Systemtic Name: 7-[2-(1-azanylcyclohexyl)ethynyl]-1-methoxy-xanthen-9-one Openeye Name: 7-[2-(1-aminocyclohexyl)ethynyl]-1-methoxy-xanthen-9-one CAS Name: 7-[2-(1-aminocyclohexyl)ethynyl]-1-methoxy-9-xanthenone IUPAC Name: 7-[2-(1-aminocyclohexyl)ethynyl]-1-methoxyxanthen-9-one Traditional Name: 7-[2-(1-aminocyclohexyl)ethynyl]-1-methoxy-xanthone Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(O2)C=CC(=C3)C#CC4(CCCCC4)N

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C3=C(O2)C=CC(=C3)C#CC4(CCCCC4)N

InChI

InChI=1S/C22H21NO3/c1-25-18-6-5-7-19-20(18)21(24)16-14-15(8-9-17(16)26-19)10-13-22(23)11-3-2-4-12-22/h5-9,14H,2-4,11-12,23H2,1H3