(4E)-4-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (4E)-4-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (4E)-4-[(1,3,5-trimethylpyrazol-4-yl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(1,3,5-trimethyl-4-pyrazolyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate IUPAC Name: (4E)-4-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-[(1,3,5-trimethylpyrazol-4-yl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate Formula: C21H20N3O2- MolecularWeight: 346.4024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/2\CCCC3=C(C4=CC=CC=C4N=C23)C(=O)[O-]

InChI

InChI=1S/C21H21N3O2/c1-12-17(13(2)24(3)23-12)11-14-7-6-9-16-19(21(25)26)15-8-4-5-10-18(15)22-20(14)16/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,25,26)/p-1/b14-11+