N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide

Systemtic Name: N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide Openeye Name: N-[6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]-4-(3-hydroxy-3-methyl-but-1-ynyl)benzamide CAS Name: N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide IUPAC Name: N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide Traditional Name: N-[6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]-4-(3-hydroxy-3-methyl-but-1-ynyl)benzamide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)C4=CC=C(C=C4)C#CC(C)(C)O

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)C4=CC=C(C=C4)C#CC(C)(C)O

InChI

InChI=1S/C28H31N3O2/c1-19-8-6-7-9-24(19)31-25-17-27(2,3)16-23(22(25)18-29-31)30-26(32)21-12-10-20(11-13-21)14-15-28(4,5)33/h6-13,18,23,33H,16-17H2,1-5H3,(H,30,32)