5-cyano-1-oxidanylidene-N-phenyl-2-prop-2-ynyl-isoquinoline-3-carboxamide

Systemtic Name: 5-cyano-1-oxidanylidene-N-phenyl-2-prop-2-ynyl-isoquinoline-3-carboxamide Openeye Name: 5-cyano-1-oxo-N-phenyl-2-prop-2-ynyl-isoquinoline-3-carboxamide CAS Name: 5-cyano-1-oxo-N-phenyl-2-prop-2-ynyl-3-isoquinolinecarboxamide IUPAC Name: 5-cyano-1-oxo-N-phenyl-2-prop-2-ynylisoquinoline-3-carboxamide Traditional Name: 5-cyano-1-keto-N-phenyl-2-propargyl-isoquinoline-3-carboxamide Formula: C20H13N3O2 MolecularWeight: 327.33612

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=CC2=C(C=CC=C2C1=O)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C#CCN1C(=CC2=C(C=CC=C2C1=O)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H13N3O2/c1-2-11-23-18(19(24)22-15-8-4-3-5-9-15)12-17-14(13-21)7-6-10-16(17)20(23)25/h1,3-10,12H,11H2,(H,22,24)