4-[(4Z)-3-azanyl-5-oxidanylidene-4-[(1-propan-2-yl-7,7a-dihydroindol-3-yl)methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-3-azanyl-5-oxidanylidene-4-[(1-propan-2-yl-7,7a-dihydroindol-3-yl)methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-amino-4-[(1-isopropyl-7,7a-dihydroindol-3-yl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-amino-5-oxo-4-[(1-propan-2-yl-7,7a-dihydroindol-3-yl)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-amino-5-oxo-4-[(1-propan-2-yl-7,7a-dihydroindol-3-yl)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-amino-4-[(1-isopropyl-7,7a-dihydroindol-3-yl)methylene]-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=CC=CCC21)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

CC(C)N1C=C(C2=CC=CCC21)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C22H22N4O3/c1-13(2)25-12-15(17-5-3-4-6-19(17)25)11-18-20(23)24-26(21(18)27)16-9-7-14(8-10-16)22(28)29/h3-5,7-13,19H,6H2,1-2H3,(H2,23,24)(H,28,29)/b18-11-