[1-(azepan-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] benzoate

Systemtic Name: [1-(azepan-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] benzoate Openeye Name: [1-(azepan-1-yl)-2-(2-oxo-1-pyridyl)vinyl] benzoate CAS Name: benzoic acid [1-(1-azepanyl)-2-(2-oxo-1-pyridinyl)ethenyl] ester IUPAC Name: [1-(azepan-1-yl)-2-(2-oxopyridin-1-yl)ethenyl] benzoate Traditional Name: benzoic acid [1-(azepan-1-yl)-2-(2-keto-1-pyridyl)vinyl] ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=CN2C=CC=CC2=O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=CN2C=CC=CC2=O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c23-18-12-6-9-15-22(18)16-19(21-13-7-1-2-8-14-21)25-20(24)17-10-4-3-5-11-17/h3-6,9-12,15-16H,1-2,7-8,13-14H2