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

Systemtic Name: 5-(3,4-dimethylphenyl)carbonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: 5-(3,4-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 5-[(3,4-dimethylphenyl)-oxomethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate IUPAC Name: 5-(3,4-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 5-(3,4-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate Formula: C16H16N3O3- MolecularWeight: 298.31654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C(=NN3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C(=NN3)C(=O)[O-])C

InChI

InChI=1S/C16H17N3O3/c1-9-3-4-11(7-10(9)2)15(20)19-6-5-13-12(8-19)14(16(21)22)18-17-13/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)(H,21,22)/p-1