3-(azepan-1-ylcarbonyl)-4-phenyl-isochromen-1-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-phenyl-isochromen-1-one Openeye Name: 3-(azepane-1-carbonyl)-4-phenyl-isochromen-1-one CAS Name: 3-[1-azepanyl(oxo)methyl]-4-phenyl-2-benzopyran-1-one IUPAC Name: 3-(azepane-1-carbonyl)-4-phenylisochromen-1-one Traditional Name: 3-(azepane-1-carbonyl)-4-phenyl-isocoumarin Formula: C22H21NO3 MolecularWeight: 347.40704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

InChI

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