5-chloranyl-1,3-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-1,3-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-N-[(4-isopropoxyphenyl)methyl]-1,3-dimethyl-pyrazole-4-carboxamide CAS Name: 5-chloro-1,3-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1,3-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-N-(4-isopropoxybenzyl)-1,3-dimethyl-pyrazole-4-carboxamide Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=C(C=C2)OC(C)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=C(C=C2)OC(C)C)Cl)C

InChI

InChI=1S/C16H20ClN3O2/c1-10(2)22-13-7-5-12(6-8-13)9-18-16(21)14-11(3)19-20(4)15(14)17/h5-8,10H,9H2,1-4H3,(H,18,21)