(2S,4E)-2-tert-butyl-4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

Systemtic Name: (2S,4E)-2-tert-butyl-4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: (2S,4E)-2-tert-butyl-4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: (2S,4E)-2-tert-butyl-4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: (2S,4E)-2-tert-butyl-4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: (2S,4E)-2-tert-butyl-4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C29H28ClN3O2 MolecularWeight: 486.00452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2CC(CC3=C(C4=CC=CC=C4N=C23)C(=O)O)C(C)(C)C)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=C/2\C[C@@H](CC3=C(C4=CC=CC=C4N=C23)C(=O)O)C(C)(C)C)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H28ClN3O2/c1-17-22(27(30)33(32-17)20-10-6-5-7-11-20)15-18-14-19(29(2,3)4)16-23-25(28(34)35)21-12-8-9-13-24(21)31-26(18)23/h5-13,15,19H,14,16H2,1-4H3,(H,34,35)/b18-15+/t19-/m0/s1