4-[(4Z)-4-[[5-(diethylamino)pyridin-2-yl]methylidene]-3-ethyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[5-(diethylamino)pyridin-2-yl]methylidene]-3-ethyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[5-(diethylamino)-2-pyridyl]methylene]-3-ethyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[5-(diethylamino)-2-pyridinyl]methylidene]-3-ethyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[5-(diethylamino)pyridin-2-yl]methylidene]-3-ethyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[[5-(diethylamino)-2-pyridyl]methylene]-3-ethyl-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=CC2=NC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC\1=NN(C(=O)/C1=C\C2=NC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H24N4O3/c1-4-20-19(13-16-9-12-18(14-23-16)25(5-2)6-3)21(27)26(24-20)17-10-7-15(8-11-17)22(28)29/h7-14H,4-6H2,1-3H3,(H,28,29)/b19-13-