ethyl 5-azanyl-1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[6-(3-pyridylmethylamino)pyridazin-3-yl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[6-(3-pyridinylmethylamino)-3-pyridazinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[6-(3-pyridylmethylamino)pyridazin-3-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C16H17N7O2 MolecularWeight: 339.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)NCC3=CN=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C16H17N7O2/c1-2-25-16(24)12-10-20-23(15(12)17)14-6-5-13(21-22-14)19-9-11-4-3-7-18-8-11/h3-8,10H,2,9,17H2,1H3,(H,19,21)