4-[4-chloranyl-2-(2-fluorophenyl)carbonyl-phenyl]-5-prop-2-enyl-1H-pyrrole-3-carbonitrile

Systemtic Name: 4-[4-chloranyl-2-(2-fluorophenyl)carbonyl-phenyl]-5-prop-2-enyl-1H-pyrrole-3-carbonitrile Openeye Name: 5-allyl-4-[4-chloro-2-(2-fluorobenzoyl)phenyl]-1H-pyrrole-3-carbonitrile CAS Name: 4-[4-chloro-2-[(2-fluorophenyl)-oxomethyl]phenyl]-5-prop-2-enyl-1H-pyrrole-3-carbonitrile IUPAC Name: 4-[4-chloro-2-(2-fluorobenzoyl)phenyl]-5-prop-2-enyl-1H-pyrrole-3-carbonitrile Traditional Name: 5-allyl-4-[4-chloro-2-(2-fluorobenzoyl)phenyl]-1H-pyrrole-3-carbonitrile Formula: C21H14ClFN2O MolecularWeight: 364.800063

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=CN1)C#N)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3F

Isomeric SMILES

C=CCC1=C(C(=CN1)C#N)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H14ClFN2O/c1-2-5-19-20(13(11-24)12-25-19)15-9-8-14(22)10-17(15)21(26)16-6-3-4-7-18(16)23/h2-4,6-10,12,25H,1,5H2