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4-[3-[6-oxidanylidene-5-(pyridin-4-ylmethylcarbamoyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid

4-[3-[6-oxidanylidene-5-(pyridin-4-ylmethylcarbamoyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid

Systemtic Name:4-[3-[6-oxidanylidene-5-(pyridin-4-ylmethylcarbamoyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid
Openeye Name:4-[3-[6-oxo-5-(4-pyridylmethylcarbamoyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid
CAS Name:4-[3-[6-oxo-5-[oxo-(pyridin-4-ylmethylamino)methyl]-1-pyridazinyl]prop-2-ynyl]benzoic acid
IUPAC Name:4-[3-[6-oxo-5-(pyridin-4-ylmethylcarbamoyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid
Traditional Name:4-[3-[6-keto-5-(4-pyridylmethylcarbamoyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid
Formula: C21H16N4O4
MolecularWeight: 388.37614
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#CN2C(=O)C(=CC=N2)C(=O)NCC3=CC=NC=C3)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1CC#CN2C(=O)C(=CC=N2)C(=O)NCC3=CC=NC=C3)C(=O)O


InChI

InChI=1S/C21H16N4O4/c26-19(23-14-16-7-10-22-11-8-16)18-9-12-24-25(20(18)27)13-1-2-15-3-5-17(6-4-15)21(28)29/h3-12H,2,14H2,(H,23,26)(H,28,29)


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