4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-benzenecarbonitrile Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-chloro-benzonitrile CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-3-chlorobenzonitrile IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-3-chlorobenzonitrile Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-chloro-benzonitrile Formula: C15H17ClN2O2 MolecularWeight: 292.76068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C15H17ClN2O2/c16-13-9-12(10-17)5-6-14(13)20-11-15(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,11H2