(10aS)-11-oxidanylidene-8,9,10,10a-tetrahydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile

Systemtic Name: (10aS)-11-oxidanylidene-8,9,10,10a-tetrahydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile Openeye Name: (10aS)-11-oxo-8,9,10,10a-tetrahydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile CAS Name: (10aS)-11-oxo-8,9,10,10a-tetrahydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile IUPAC Name: (10aS)-11-oxo-8,9,10,10a-tetrahydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile Traditional Name: (10aS)-11-keto-8,9,10,10a-tetrahydro-7H-benzimidazol[1,2-b]isoquinoline-6-carbonitrile Formula: C16H13N3O MolecularWeight: 263.29392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C3=NC4=CC=CC=C4N3C(=O)C2C1)C#N

Isomeric SMILES

C1CCC2=C(C3=NC4=CC=CC=C4N3C(=O)[C@H]2C1)C#N

InChI

InChI=1S/C16H13N3O/c17-9-12-10-5-1-2-6-11(10)16(20)19-14-8-4-3-7-13(14)18-15(12)19/h3-4,7-8,11H,1-2,5-6H2/t11-/m0/s1