(4E)-N-[1-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[4-[3-chloranyl-4-[(4-oxidanylbutanoylamino)methyl]phenyl]-1,2-dihydropyrazol-3-ylidene]pyrrole-2-carboxamide

Systemtic Name: (4E)-N-[1-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[4-[3-chloranyl-4-[(4-oxidanylbutanoylamino)methyl]phenyl]-1,2-dihydropyrazol-3-ylidene]pyrrole-2-carboxamide Openeye Name: (4E)-N-[1-(3-chloro-4-fluoro-phenyl)-2-hydroxy-ethyl]-4-[4-[3-chloro-4-[(4-hydroxybutanoylamino)methyl]phenyl]-1,2-dihydropyrazol-3-ylidene]pyrrole-2-carboxamide CAS Name: (4E)-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-[3-chloro-4-[[(4-hydroxy-1-oxobutyl)amino]methyl]phenyl]-1,2-dihydropyrazol-3-ylidene]-2-pyrrolecarboxamide IUPAC Name: (4E)-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-[3-chloro-4-[(4-hydroxybutanoylamino)methyl]phenyl]-1,2-dihydropyrazol-3-ylidene]pyrrole-2-carboxamide Traditional Name: (4E)-N-[1-(3-chloro-4-fluoro-phenyl)-2-hydroxy-ethyl]-4-[4-[3-chloro-4-[(4-hydroxybutanoylamino)methyl]phenyl]-3-pyrazolin-3-ylidene]pyrrole-2-carboxamide Formula: C27H26Cl2FN5O4 MolecularWeight: 574.430843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CNNC2=C3C=C(N=C3)C(=O)NC(CO)C4=CC(=C(C=C4)F)Cl)Cl)CNC(=O)CCCO

Isomeric SMILES

C1=CC(=C(C=C1C\2=CNN/C2=C/3\C=C(N=C3)C(=O)NC(CO)C4=CC(=C(C=C4)F)Cl)Cl)CNC(=O)CCCO

InChI

InChI=1S/C27H26Cl2FN5O4/c28-20-8-15(3-4-17(20)11-32-25(38)2-1-7-36)19-13-33-35-26(19)18-10-23(31-12-18)27(39)34-24(14-37)16-5-6-22(30)21(29)9-16/h3-6,8-10,12-13,24,33,35-37H,1-2,7,11,14H2,(H,32,38)(H,34,39)/b26-18+