1-butyl-5-chloranyl-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-butyl-5-chloranyl-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-pyrazole-4-carboxamide Openeye Name: 1-butyl-5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 1-butyl-5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-4-pyrazolecarboxamide IUPAC Name: 1-butyl-5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylpyrazole-4-carboxamide Traditional Name: 1-butyl-5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-pyrazole-4-carboxamide Formula: C21H30ClN3O3 MolecularWeight: 407.9342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NCCC2=CC(=C(C=C2)OCC)OCC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NCCC2=CC(=C(C=C2)OCC)OCC)Cl

InChI

InChI=1S/C21H30ClN3O3/c1-5-8-13-25-20(22)19(15(4)24-25)21(26)23-12-11-16-9-10-17(27-6-2)18(14-16)28-7-3/h9-10,14H,5-8,11-13H2,1-4H3,(H,23,26)