3-chloranyl-N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-chloro-N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl]benzamide CAS Name: 3-chloro-N-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-2-oxoethyl]benzamide IUPAC Name: 3-chloro-N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]benzamide Traditional Name: 3-chloro-N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-keto-ethyl]benzamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CNC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CNC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-14-19(15(2)26(25-14)18-9-4-3-5-10-18)12-23-20(27)13-24-21(28)16-7-6-8-17(22)11-16/h3-11H,12-13H2,1-2H3,(H,23,27)(H,24,28)