5-(2-phenylethanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: 5-(2-phenylethanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: 5-(2-phenylacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 5-(1-oxo-2-phenylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate IUPAC Name: 5-(2-phenylacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 5-(2-phenylacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate Formula: C15H14N3O3- MolecularWeight: 284.28996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1NN=C2C(=O)[O-])C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C1NN=C2C(=O)[O-])C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C15H15N3O3/c19-13(8-10-4-2-1-3-5-10)18-7-6-12-11(9-18)14(15(20)21)17-16-12/h1-5H,6-9H2,(H,16,17)(H,20,21)/p-1