[1-(azepan-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-bromanylbenzoate

Systemtic Name: [1-(azepan-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-bromanylbenzoate Openeye Name: [1-(azepan-1-yl)-2-(2-oxo-1-pyridyl)vinyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [1-(1-azepanyl)-2-(2-oxo-1-pyridinyl)ethenyl] ester IUPAC Name: [1-(azepan-1-yl)-2-(2-oxopyridin-1-yl)ethenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [1-(azepan-1-yl)-2-(2-keto-1-pyridyl)vinyl] ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3/c21-17-10-8-16(9-11-17)20(25)26-19(22-12-4-1-2-5-13-22)15-23-14-6-3-7-18(23)24/h3,6-11,14-15H,1-2,4-5,12-13H2