3-[2-(3-phenylazanyl-1H-pyrazol-5-yl)ethyl]-N-(3,4,5-trimethoxyphenyl)benzamide

Systemtic Name: 3-[2-(3-phenylazanyl-1H-pyrazol-5-yl)ethyl]-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 3-[2-(3-anilino-1H-pyrazol-5-yl)ethyl]-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 3-[2-(3-anilino-1H-pyrazol-5-yl)ethyl]-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 3-[2-(3-anilino-1H-pyrazol-5-yl)ethyl]-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 3-[2-(3-anilino-1H-pyrazol-5-yl)ethyl]-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)CCC3=CC(=NN3)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)CCC3=CC(=NN3)NC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4/c1-33-23-15-22(16-24(34-2)26(23)35-3)29-27(32)19-9-7-8-18(14-19)12-13-21-17-25(31-30-21)28-20-10-5-4-6-11-20/h4-11,14-17H,12-13H2,1-3H3,(H,29,32)(H2,28,30,31)