4-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)benzene-1,2-dicarbonitrile Openeye Name: 4-chloro-5-(3,4-dihydro-1H-isoquinolin-2-yl)phthalonitrile CAS Name: 4-chloro-5-(3,4-dihydro-1H-isoquinolin-2-yl)benzene-1,2-dicarbonitrile IUPAC Name: 4-chloro-5-(3,4-dihydro-1H-isoquinolin-2-yl)benzene-1,2-dicarbonitrile Traditional Name: 4-chloro-5-(3,4-dihydro-1H-isoquinolin-2-yl)phthalonitrile Formula: C17H12ClN3 MolecularWeight: 293.75028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3/c18-16-7-14(9-19)15(10-20)8-17(16)21-6-5-12-3-1-2-4-13(12)11-21/h1-4,7-8H,5-6,11H2