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

Systemtic Name: N-(4-acetamidophenyl)-1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(4-acetamidophenyl)-1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H21ClN4O3/c1-13-10-18(11-14(2)20(13)22)29-12-26-9-8-19(25-26)21(28)24-17-6-4-16(5-7-17)23-15(3)27/h4-11H,12H2,1-3H3,(H,23,27)(H,24,28)