N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide Openeye Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(4-oxocinnolin-1-yl)acetamide CAS Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(4-oxo-1-cinnolinyl)acetamide IUPAC Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(4-oxocinnolin-1-yl)acetamide Traditional Name: N-(1-adamantyl)-2-(4-ketocinnolin-1-yl)-N-m-anisyl-acetamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C(=O)CN2C3=CC=CC=C3C(=O)C=N2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)CN(C(=O)CN2C3=CC=CC=C3C(=O)C=N2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H31N3O3/c1-34-23-6-4-5-19(12-23)17-30(28-13-20-9-21(14-28)11-22(10-20)15-28)27(33)18-31-25-8-3-2-7-24(25)26(32)16-29-31/h2-8,12,16,20-22H,9-11,13-15,17-18H2,1H3