5-chloranyl-3-methyl-1-(phenylmethyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-(phenylmethyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrazole-4-carboxamide Formula: C25H19ClN4O MolecularWeight: 426.89756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H19ClN4O/c1-18-23(24(26)30(29-18)17-20-8-3-2-4-9-20)25(31)28-22-12-7-10-19(16-22)13-14-21-11-5-6-15-27-21/h2-12,15-16H,17H2,1H3,(H,28,31)