N-(4-fluorophenyl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)quinoline-4-carboxamide CAS Name: N-(4-fluorophenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-(4-fluorophenyl)cinchoninamide Formula: C27H25FN4O MolecularWeight: 440.512003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN4O/c28-21-10-12-22(13-11-21)29-27(33)24-18-26(30-25-9-5-4-8-23(24)25)32-16-14-31(15-17-32)19-20-6-2-1-3-7-20/h1-13,18H,14-17,19H2,(H,29,33)