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

Systemtic Name: 6,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)-1-(4-propan-2-ylphenyl)-5,7-dihydroindazole-7-carbonitrile Openeye Name: 3-benzyl-1-(4-isopropylphenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazole-7-carbonitrile CAS Name: 6,6-dimethyl-4-oxo-3-(phenylmethyl)-1-(4-propan-2-ylphenyl)-5,7-dihydroindazole-7-carbonitrile IUPAC Name: 3-benzyl-6,6-dimethyl-4-oxo-1-(4-propan-2-ylphenyl)-5,7-dihydroindazole-7-carbonitrile Traditional Name: 3-benzyl-4-keto-6,6-dimethyl-1-p-cumenyl-5,7-dihydroindazole-7-carbonitrile Formula: C26H27N3O MolecularWeight: 397.51208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)CC(C3C#N)(C)C)C(=N2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)CC(C3C#N)(C)C)C(=N2)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O/c1-17(2)19-10-12-20(13-11-19)29-25-21(16-27)26(3,4)15-23(30)24(25)22(28-29)14-18-8-6-5-7-9-18/h5-13,17,21H,14-15H2,1-4H3