N-(4-benzamido-2,5-diethoxy-phenyl)-5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(4-benzamido-2,5-diethoxy-phenyl)-5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(4-benzamido-2,5-diethoxy-phenyl)-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(4-benzamido-2,5-diethoxyphenyl)-5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(4-benzamido-2,5-diethoxyphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-(4-benzamido-2,5-diethoxy-phenyl)-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C28H27ClN4O4 MolecularWeight: 518.99138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H27ClN4O4/c1-4-36-23-17-22(24(37-5-2)16-21(23)30-27(34)19-12-8-6-9-13-19)31-28(35)25-18(3)32-33(26(25)29)20-14-10-7-11-15-20/h6-17H,4-5H2,1-3H3,(H,30,34)(H,31,35)