8-(4-fluorophenyl)-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide

Systemtic Name: 8-(4-fluorophenyl)-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 8-(4-fluorophenyl)-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide CAS Name: 8-(4-fluorophenyl)-2-methyl-N-[3-(4-phenyl-1-piperazinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 8-(4-fluorophenyl)-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 8-(4-fluorophenyl)-2-methyl-N-[3-(4-phenylpiperazino)propyl]cinchoninamide Formula: C30H31FN4O MolecularWeight: 482.591743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2C3=CC=C(C=C3)F)C(=C1)C(=O)NCCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=CC=C2C3=CC=C(C=C3)F)C(=C1)C(=O)NCCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C30H31FN4O/c1-22-21-28(27-10-5-9-26(29(27)33-22)23-11-13-24(31)14-12-23)30(36)32-15-6-16-34-17-19-35(20-18-34)25-7-3-2-4-8-25/h2-5,7-14,21H,6,15-20H2,1H3,(H,32,36)