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

Systemtic Name: N-[3-cyano-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Openeye Name: N-[3-cyano-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide CAS Name: N-[3-cyano-2-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]-1-(4-fluorophenyl)-3-pyrrolecarboxamide IUPAC Name: N-[3-cyano-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Traditional Name: N-[3-cyano-2-[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=CC=C2NC(=O)C3=CN(C=C3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=CC=C2NC(=O)C3=CN(C=C3)C4=CC=C(C=C4)F)C#N

InChI

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