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

Systemtic Name: N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Openeye Name: N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide CAS Name: N-[3-cyano-4-[4-(4-oxanyl)-1-piperazinyl]phenyl]-1-(4-fluorophenyl)-3-pyrrolecarboxamide IUPAC Name: N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Traditional Name: N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazino)phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Formula: C27H28FN5O2 MolecularWeight: 473.541923

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CN(C=C4)C5=CC=C(C=C5)F)C#N

Isomeric SMILES

C1COCCC1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CN(C=C4)C5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C27H28FN5O2/c28-22-1-4-24(5-2-22)33-10-7-20(19-33)27(34)30-23-3-6-26(21(17-23)18-29)32-13-11-31(12-14-32)25-8-15-35-16-9-25/h1-7,10,17,19,25H,8-9,11-16H2,(H,30,34)