3-(azepan-1-ylcarbonyl)-6-bromanyl-chromen-2-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-bromanyl-chromen-2-one Openeye Name: 3-(azepane-1-carbonyl)-6-bromo-chromen-2-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-bromo-1-benzopyran-2-one IUPAC Name: 3-(azepane-1-carbonyl)-6-bromochromen-2-one Traditional Name: 3-(azepane-1-carbonyl)-6-bromo-coumarin Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C16H16BrNO3/c17-12-5-6-14-11(9-12)10-13(16(20)21-14)15(19)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8H2