tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]-4,6-dihydropyrazolo[4,3-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]-4,6-dihydropyrazolo[4,3-c]pyridine-5-carboxylate Openeye Name: tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylene]-3-[[(1R)-1-(2-pyridyl)ethyl]carbamoyl]-4,6-dihydropyrazolo[4,3-c]pyridine-5-carboxylate CAS Name: (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-3-[oxo-[[(1R)-1-(2-pyridinyl)ethyl]amino]methyl]-4,6-dihydropyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]-4,6-dihydropyrazolo[4,3-c]pyridine-5-carboxylate Traditional Name: (7E)-1-(2,4-dichlorophenyl)-7-(4-fluorobenzylidene)-3-[[(1R)-1-(2-pyridyl)ethyl]carbamoyl]-4,6-dihydropyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C32H30Cl2FN5O3 MolecularWeight: 622.516703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)C2=NN(C3=C2CN(CC3=CC4=CC=C(C=C4)F)C(=O)OC(C)(C)C)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C[C@H](C1=CC=CC=N1)NC(=O)C2=NN(C\3=C2CN(C/C3=C\C4=CC=C(C=C4)F)C(=O)OC(C)(C)C)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C32H30Cl2FN5O3/c1-19(26-7-5-6-14-36-26)37-30(41)28-24-18-39(31(42)43-32(2,3)4)17-21(15-20-8-11-23(35)12-9-20)29(24)40(38-28)27-13-10-22(33)16-25(27)34/h5-16,19H,17-18H2,1-4H3,(H,37,41)/b21-15+/t19-/m1/s1