N-[2-[(4-chlorophenyl)carbonylamino]ethyl]-5-ethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(4-chlorophenyl)carbonylamino]ethyl]-5-ethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-[(4-chlorobenzoyl)amino]ethyl]-5-ethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-[[(4-chlorophenyl)-oxomethyl]amino]ethyl]-5-ethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[2-[(4-chlorobenzoyl)amino]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-[(4-chlorobenzoyl)amino]ethyl]-5-ethyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-2-19-18(14-25-26(19)17-6-4-3-5-7-17)21(28)24-13-12-23-20(27)15-8-10-16(22)11-9-15/h3-11,14H,2,12-13H2,1H3,(H,23,27)(H,24,28)