N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide

Systemtic Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Openeye Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide CAS Name: N-[3-cyano-4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]-1-(4-fluorophenyl)-3-pyrrolecarboxamide IUPAC Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Traditional Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazino]phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Formula: C24H24FN5O2 MolecularWeight: 433.478063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CN(C=C3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CN(C=C3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C24H24FN5O2/c25-20-1-4-22(5-2-20)30-8-7-18(17-30)24(32)27-21-3-6-23(19(15-21)16-26)29-11-9-28(10-12-29)13-14-31/h1-8,15,17,31H,9-14H2,(H,27,32)