4-chloranyl-2,6-dimethyl-4-[2-[(1-phenylpyrazol-3-yl)amino]phenyl]cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-chloranyl-2,6-dimethyl-4-[2-[(1-phenylpyrazol-3-yl)amino]phenyl]cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-chloro-2,6-dimethyl-4-[2-[(1-phenylpyrazol-3-yl)amino]phenyl]cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-chloro-2,6-dimethyl-4-[2-[(1-phenyl-3-pyrazolyl)amino]phenyl]-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-chloro-2,6-dimethyl-4-[2-[(1-phenylpyrazol-3-yl)amino]phenyl]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-chloro-2,6-dimethyl-4-[2-[(1-phenylpyrazol-3-yl)amino]phenyl]cyclohexa-2,5-diene-1-carboxylate Formula: C24H21ClN3O2- MolecularWeight: 418.89544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C=C(C1C(=O)[O-])C)(C2=CC=CC=C2NC3=NN(C=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(C=C(C1C(=O)[O-])C)(C2=CC=CC=C2NC3=NN(C=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H22ClN3O2/c1-16-14-24(25,15-17(2)22(16)23(29)30)19-10-6-7-11-20(19)26-21-12-13-28(27-21)18-8-4-3-5-9-18/h3-15,22H,1-2H3,(H,26,27)(H,29,30)/p-1