4-(3-azanyl-1-oxidanylidene-isoquinolin-2-yl)-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-(3-azanyl-1-oxidanylidene-isoquinolin-2-yl)-2-chloranyl-benzenecarbonitrile Openeye Name: 4-(3-amino-1-oxo-2-isoquinolyl)-2-chloro-benzonitrile CAS Name: 4-(3-amino-1-oxo-2-isoquinolinyl)-2-chlorobenzonitrile IUPAC Name: 4-(3-amino-1-oxoisoquinolin-2-yl)-2-chlorobenzonitrile Traditional Name: 4-(3-amino-1-keto-2-isoquinolyl)-2-chloro-benzonitrile Formula: C16H10ClN3O MolecularWeight: 295.7231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N(C2=O)C3=CC(=C(C=C3)C#N)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N(C2=O)C3=CC(=C(C=C3)C#N)Cl)N

InChI

InChI=1S/C16H10ClN3O/c17-14-8-12(6-5-11(14)9-18)20-15(19)7-10-3-1-2-4-13(10)16(20)21/h1-8H,19H2