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

Systemtic Name: 6-[(5Z)-5-[2-tert-butyl-3-(2-methylpropyl)-1H-pyrazol-5-ylidene]pyrrol-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[(5Z)-5-(2-tert-butyl-3-isobutyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]pyridine-3-carboxylic acid CAS Name: 6-[(5Z)-5-[2-tert-butyl-3-(2-methylpropyl)-1H-pyrazol-5-ylidene]-2-pyrrolyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5Z)-5-[2-tert-butyl-3-(2-methylpropyl)-1H-pyrazol-5-ylidene]pyrrol-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[(5Z)-5-(1-tert-butyl-5-isobutyl-3-pyrazolin-3-ylidene)pyrrol-2-yl]nicotinic acid Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C2C=CC(=N2)C3=NC=C(C=C3)C(=O)O)NN1C(C)(C)C

Isomeric SMILES

CC(C)CC1=C/C(=C/2\C=CC(=N2)C3=NC=C(C=C3)C(=O)O)/NN1C(C)(C)C

InChI

InChI=1S/C21H26N4O2/c1-13(2)10-15-11-19(24-25(15)21(3,4)5)18-9-8-17(23-18)16-7-6-14(12-22-16)20(26)27/h6-9,11-13,24H,10H2,1-5H3,(H,26,27)/b19-18-