7-fluoranyl-2-methyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]quinoline-3-carboxamide

Systemtic Name: 7-fluoranyl-2-methyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]quinoline-3-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-7-fluoro-2-methyl-quinoline-3-carboxamide CAS Name: 7-fluoro-2-methyl-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-3-quinolinecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-7-fluoro-2-methylquinoline-3-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-7-fluoro-2-methyl-quinoline-3-carboxamide Formula: C25H29FN4O MolecularWeight: 420.522363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29FN4O/c1-19-23(16-21-8-9-22(26)17-24(21)28-19)25(31)27-10-5-11-29-12-14-30(15-13-29)18-20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15,18H2,1H3,(H,27,31)