5-(4-methoxydibenzofuran-1-yl)-3-oxidanylidene-3a,4,6,7-tetrahydro-2H-indazole-5-carbonitrile

Systemtic Name: 5-(4-methoxydibenzofuran-1-yl)-3-oxidanylidene-3a,4,6,7-tetrahydro-2H-indazole-5-carbonitrile Openeye Name: 5-(4-methoxydibenzofuran-1-yl)-3-oxo-3a,4,6,7-tetrahydro-2H-indazole-5-carbonitrile CAS Name: 5-(4-methoxy-1-dibenzofuranyl)-3-oxo-3a,4,6,7-tetrahydro-2H-indazole-5-carbonitrile IUPAC Name: 5-(4-methoxydibenzofuran-1-yl)-3-oxo-3a,4,6,7-tetrahydro-2H-indazole-5-carbonitrile Traditional Name: 3-keto-5-(4-methoxydibenzofuran-1-yl)-3a,4,6,7-tetrahydro-2H-indazole-5-carbonitrile Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC4=NNC(=O)C4C3)C#N)C5=CC=CC=C5O2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC4=NNC(=O)C4C3)C#N)C5=CC=CC=C5O2

InChI

InChI=1S/C21H17N3O3/c1-26-17-7-6-14(18-12-4-2-3-5-16(12)27-19(17)18)21(11-22)9-8-15-13(10-21)20(25)24-23-15/h2-7,13H,8-10H2,1H3,(H,24,25)