2-[4-chloranyl-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-chloranyl-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-chloro-3,5-bis(1,3-dimethyl-4-pyrazolyl)-1-pyrazolyl]-N-phenylacetamide IUPAC Name: 2-[4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-phenylacetamide Traditional Name: 2-[4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-phenyl-acetamide Formula: C21H22ClN7O MolecularWeight: 423.89868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=C(C(=NN2CC(=O)NC3=CC=CC=C3)C4=CN(N=C4C)C)Cl)C

Isomeric SMILES

CC1=NN(C=C1C2=C(C(=NN2CC(=O)NC3=CC=CC=C3)C4=CN(N=C4C)C)Cl)C

InChI

InChI=1S/C21H22ClN7O/c1-13-16(10-27(3)24-13)20-19(22)21(17-11-28(4)25-14(17)2)29(26-20)12-18(30)23-15-8-6-5-7-9-15/h5-11H,12H2,1-4H3,(H,23,30)