6,6-dimethyl-4-oxidanylidene-3-(phenoxymethyl)-1-(4-propan-2-ylphenyl)-5,7-dihydroindazole-5-carbonitrile

Systemtic Name: 6,6-dimethyl-4-oxidanylidene-3-(phenoxymethyl)-1-(4-propan-2-ylphenyl)-5,7-dihydroindazole-5-carbonitrile Openeye Name: 1-(4-isopropylphenyl)-6,6-dimethyl-4-oxo-3-(phenoxymethyl)-5,7-dihydroindazole-5-carbonitrile CAS Name: 6,6-dimethyl-4-oxo-3-(phenoxymethyl)-1-(4-propan-2-ylphenyl)-5,7-dihydroindazole-5-carbonitrile IUPAC Name: 6,6-dimethyl-4-oxo-3-(phenoxymethyl)-1-(4-propan-2-ylphenyl)-5,7-dihydroindazole-5-carbonitrile Traditional Name: 4-keto-6,6-dimethyl-1-p-cumenyl-3-(phenoxymethyl)-5,7-dihydroindazole-5-carbonitrile Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C3=C(C(=N2)COC4=CC=CC=C4)C(=O)C(C(C3)(C)C)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C3=C(C(=N2)COC4=CC=CC=C4)C(=O)C(C(C3)(C)C)C#N

InChI

InChI=1S/C26H27N3O2/c1-17(2)18-10-12-19(13-11-18)29-23-14-26(3,4)21(15-27)25(30)24(23)22(28-29)16-31-20-8-6-5-7-9-20/h5-13,17,21H,14,16H2,1-4H3