[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

InChI

InChI=1S/C22H22N2O3/c23-15-17-9-3-4-10-18(17)19-11-5-6-12-20(19)22(26)27-16-21(25)24-13-7-1-2-8-14-24/h3-6,9-12H,1-2,7-8,13-14,16H2