[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c17-11-13-6-5-7-14(10-13)16(20)21-12-15(19)18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,12H2