[4-chloranyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [4-chloranyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [4-chloro-3-[oxo-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl] ester Formula: C25H18ClN5O3 MolecularWeight: 471.89512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC3=CC(=C(C=C3)Cl)C(=O)NC4=CN=C5C(=C4)C=CN5

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC3=CC(=C(C=C3)Cl)C(=O)NC4=CN=C5C(=C4)C=CN5

InChI

InChI=1S/C25H18ClN5O3/c1-15-21(14-29-31(15)18-5-3-2-4-6-18)25(33)34-19-7-8-22(26)20(12-19)24(32)30-17-11-16-9-10-27-23(16)28-13-17/h2-14H,1H3,(H,27,28)(H,30,32)