1-(3-chloranyl-4-fluoranyl-phenyl)-3-cyano-N-(3,3-diphenylpropyl)pyrrole-2-carboxamide

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-cyano-N-(3,3-diphenylpropyl)pyrrole-2-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-cyano-N-(3,3-diphenylpropyl)pyrrole-2-carboxamide CAS Name: 1-(3-chloro-4-fluorophenyl)-3-cyano-N-(3,3-diphenylpropyl)-2-pyrrolecarboxamide IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-cyano-N-(3,3-diphenylpropyl)pyrrole-2-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-cyano-N-(3,3-diphenylpropyl)pyrrole-2-carboxamide Formula: C27H21ClFN3O MolecularWeight: 457.926543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)C2=C(C=CN2C3=CC(=C(C=C3)F)Cl)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)C2=C(C=CN2C3=CC(=C(C=C3)F)Cl)C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H21ClFN3O/c28-24-17-22(11-12-25(24)29)32-16-14-21(18-30)26(32)27(33)31-15-13-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,14,16-17,23H,13,15H2,(H,31,33)