(2S,4E)-2-methyl-4-[(1-methylpyrazol-4-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (2S,4E)-2-methyl-4-[(1-methylpyrazol-4-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2S,4E)-2-methyl-4-[(1-methylpyrazol-4-yl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2S,4E)-2-methyl-4-[(1-methyl-4-pyrazolyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate IUPAC Name: (2S,4E)-2-methyl-4-[(1-methylpyrazol-4-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2S,4E)-2-methyl-4-[(1-methylpyrazol-4-yl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate Formula: C20H18N3O2- MolecularWeight: 332.37582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CN(N=C2)C)C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

Isomeric SMILES

C[C@H]1C/C(=C\C2=CN(N=C2)C)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

InChI

InChI=1S/C20H19N3O2/c1-12-7-14(9-13-10-21-23(2)11-13)19-16(8-12)18(20(24)25)15-5-3-4-6-17(15)22-19/h3-6,9-12H,7-8H2,1-2H3,(H,24,25)/p-1/b14-9+/t12-/m0/s1