1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-quinolin-8-yl-pyrazole-3-carboxamide

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-quinolin-8-yl-pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(8-quinolyl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(8-quinolinyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-quinolin-8-ylpyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(8-quinolyl)pyrazole-3-carboxamide Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H19ClN4O2/c1-14-11-17(12-15(2)20(14)23)29-13-27-10-8-19(26-27)22(28)25-18-7-3-5-16-6-4-9-24-21(16)18/h3-12H,13H2,1-2H3,(H,25,28)