6-[(5Z)-5-(2-tert-butyl-3-propan-2-yl-1H-pyrazol-5-ylidene)pyrrol-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(5Z)-5-(2-tert-butyl-3-propan-2-yl-1H-pyrazol-5-ylidene)pyrrol-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[(5Z)-5-(2-tert-butyl-3-isopropyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]pyridine-3-carboxylic acid CAS Name: 6-[(5Z)-5-(2-tert-butyl-3-propan-2-yl-1H-pyrazol-5-ylidene)-2-pyrrolyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5Z)-5-(2-tert-butyl-3-propan-2-yl-1H-pyrazol-5-ylidene)pyrrol-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[(5Z)-5-(1-tert-butyl-5-isopropyl-3-pyrazolin-3-ylidene)pyrrol-2-yl]nicotinic acid Formula: C20H24N4O2 MolecularWeight: 352.43016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C=CC(=N2)C3=NC=C(C=C3)C(=O)O)NN1C(C)(C)C

Isomeric SMILES

CC(C)C1=C/C(=C/2\C=CC(=N2)C3=NC=C(C=C3)C(=O)O)/NN1C(C)(C)C

InChI

InChI=1S/C20H24N4O2/c1-12(2)18-10-17(23-24(18)20(3,4)5)16-9-8-15(22-16)14-7-6-13(11-21-14)19(25)26/h6-12,23H,1-5H3,(H,25,26)/b17-16-