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

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(1-phenylethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2/c1-14-11-18(12-15(2)20(14)22)27-13-25-10-9-19(24-25)21(26)23-16(3)17-7-5-4-6-8-17/h4-12,16H,13H2,1-3H3,(H,23,26)