4-[(3S)-1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(3S)-1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]oxybenzenecarbonitrile Openeye Name: 4-[(3S)-1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]oxybenzonitrile CAS Name: 4-[[(3S)-1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]oxy]benzonitrile IUPAC Name: 4-[(3S)-1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]oxybenzonitrile Traditional Name: 4-[(3S)-1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]oxybenzonitrile Formula: C20H17ClN2O3 MolecularWeight: 368.81358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)OC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O3/c21-16-8-6-15(7-9-16)19(24)23-12-2-1-3-18(20(23)25)26-17-10-4-14(13-22)5-11-17/h4-11,18H,1-3,12H2/t18-/m0/s1