5-chloranyl-N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-[2-(diethylamino)-2-(3-thienyl)ethyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-[2-(diethylamino)-2-(3-thienyl)ethyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)Cl)C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)Cl)C3=CSC=C3

InChI

InChI=1S/C21H25ClN4OS/c1-4-25(5-2)18(16-11-12-28-14-16)13-23-21(27)19-15(3)24-26(20(19)22)17-9-7-6-8-10-17/h6-12,14,18H,4-5,13H2,1-3H3,(H,23,27)