N-[2-(azepan-1-yl)ethyl]-8-(4-fluorophenyl)-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-8-(4-fluorophenyl)-2-methyl-quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-8-(4-fluorophenyl)-2-methyl-quinoline-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-8-(4-fluorophenyl)-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-8-(4-fluorophenyl)-2-methylquinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-8-(4-fluorophenyl)-2-methyl-cinchoninamide Formula: C25H28FN3O MolecularWeight: 405.507723

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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)NCCN4CCCCCC4

Isomeric SMILES

CC1=NC2=C(C=CC=C2C3=CC=C(C=C3)F)C(=C1)C(=O)NCCN4CCCCCC4

InChI

InChI=1S/C25H28FN3O/c1-18-17-23(25(30)27-13-16-29-14-4-2-3-5-15-29)22-8-6-7-21(24(22)28-18)19-9-11-20(26)12-10-19/h6-12,17H,2-5,13-16H2,1H3,(H,27,30)