4-cyano-N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-2-fluoranyl-benzamide

Systemtic Name: 4-cyano-N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-2-fluoranyl-benzamide Openeye Name: 4-cyano-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-fluoro-benzamide CAS Name: 4-cyano-N-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-fluorobenzamide IUPAC Name: 4-cyano-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-fluorobenzamide Traditional Name: 4-cyano-N-[4-[4-(4-ethylbenzoyl)piperazino]phenyl]-2-fluoro-benzamide Formula: C27H25FN4O2 MolecularWeight: 456.511403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C27H25FN4O2/c1-2-19-3-6-21(7-4-19)27(34)32-15-13-31(14-16-32)23-10-8-22(9-11-23)30-26(33)24-12-5-20(18-29)17-25(24)28/h3-12,17H,2,13-16H2,1H3,(H,30,33)