(4E)-4-[4-(3-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-N-(2-oxidanyl-1-phenyl-ethyl)pyrrole-2-carboxamide

Systemtic Name: (4E)-4-[4-(3-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-N-(2-oxidanyl-1-phenyl-ethyl)pyrrole-2-carboxamide Openeye Name: (4E)-4-[4-(3-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-N-(2-hydroxy-1-phenyl-ethyl)pyrrole-2-carboxamide CAS Name: (4E)-4-[4-(3-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-N-(2-hydroxy-1-phenylethyl)-2-pyrrolecarboxamide IUPAC Name: (4E)-4-[4-(3-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-N-(2-hydroxy-1-phenylethyl)pyrrole-2-carboxamide Traditional Name: (4E)-4-[4-(3-bromophenyl)-3-pyrazolin-3-ylidene]-N-(2-hydroxy-1-phenyl-ethyl)pyrrole-2-carboxamide Formula: C22H19BrN4O2 MolecularWeight: 451.31586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)NC(=O)C2=CC(=C3C(=CNN3)C4=CC(=CC=C4)Br)C=N2

Isomeric SMILES

C1=CC=C(C=C1)C(CO)NC(=O)C2=C/C(=C\3/C(=CNN3)C4=CC(=CC=C4)Br)/C=N2

InChI

InChI=1S/C22H19BrN4O2/c23-17-8-4-7-15(9-17)18-12-25-27-21(18)16-10-19(24-11-16)22(29)26-20(13-28)14-5-2-1-3-6-14/h1-12,20,25,27-28H,13H2,(H,26,29)/b21-16+