3-[2-(azepan-1-ylcarbonyl)phenyl]isochromen-1-one

Systemtic Name: 3-[2-(azepan-1-ylcarbonyl)phenyl]isochromen-1-one Openeye Name: 3-[2-(azepane-1-carbonyl)phenyl]isochromen-1-one CAS Name: 3-[2-[1-azepanyl(oxo)methyl]phenyl]-2-benzopyran-1-one IUPAC Name: 3-[2-(azepane-1-carbonyl)phenyl]isochromen-1-one Traditional Name: 3-[2-(azepane-1-carbonyl)phenyl]isocoumarin Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2C3=CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2C3=CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H21NO3/c24-21(23-13-7-1-2-8-14-23)19-12-6-5-11-18(19)20-15-16-9-3-4-10-17(16)22(25)26-20/h3-6,9-12,15H,1-2,7-8,13-14H2