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

Systemtic Name: [1-(azepan-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-chloranylbenzoate Openeye Name: [1-(azepan-1-yl)-2-(2-oxo-1-pyridyl)vinyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-(1-azepanyl)-2-(2-oxo-1-pyridinyl)ethenyl] ester IUPAC Name: [1-(azepan-1-yl)-2-(2-oxopyridin-1-yl)ethenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-(azepan-1-yl)-2-(2-keto-1-pyridyl)vinyl] ester Formula: C20H21ClN2O3 MolecularWeight: 372.84534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3/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