1-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-phenethyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-phenethyl-pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-phenethyl-pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-N-phenethyl-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenethylpyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-phenethyl-pyrazole-3-carboxamide Formula: C18H20ClN5O MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NCCC3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NCCC3=CC=CC=C3)C)Cl

InChI

InChI=1S/C18H20ClN5O/c1-13-17(19)14(2)24(21-13)12-23-11-9-16(22-23)18(25)20-10-8-15-6-4-3-5-7-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,25)