[4-[(1-phenylpyrazol-3-yl)amino]phenyl] 4-chloranyl-2,6-dimethyl-benzoate

Systemtic Name: [4-[(1-phenylpyrazol-3-yl)amino]phenyl] 4-chloranyl-2,6-dimethyl-benzoate Openeye Name: [4-[(1-phenylpyrazol-3-yl)amino]phenyl] 4-chloro-2,6-dimethyl-benzoate CAS Name: 4-chloro-2,6-dimethylbenzoic acid [4-[(1-phenyl-3-pyrazolyl)amino]phenyl] ester IUPAC Name: [4-[(1-phenylpyrazol-3-yl)amino]phenyl] 4-chloro-2,6-dimethylbenzoate Traditional Name: 4-chloro-2,6-dimethyl-benzoic acid [4-[(1-phenylpyrazol-3-yl)amino]phenyl] ester Formula: C24H20ClN3O2 MolecularWeight: 417.8875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)OC2=CC=C(C=C2)NC3=NN(C=C3)C4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)OC2=CC=C(C=C2)NC3=NN(C=C3)C4=CC=CC=C4)C)Cl

InChI

InChI=1S/C24H20ClN3O2/c1-16-14-18(25)15-17(2)23(16)24(29)30-21-10-8-19(9-11-21)26-22-12-13-28(27-22)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,26,27)