3-chloranyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 3-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzonitrile IUPAC Name: 3-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzonitrile Traditional Name: 3-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]benzonitrile Formula: C18H15ClN2O2 MolecularWeight: 326.7769

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H15ClN2O2/c19-16-9-13(10-20)5-6-17(16)23-12-18(22)21-8-7-14-3-1-2-4-15(14)11-21/h1-6,9H,7-8,11-12H2