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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-8-(4-fluorophenyl)-2-methyl-quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-8-(4-fluorophenyl)-2-methyl-quinoline-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-8-(4-fluorophenyl)-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-8-(4-fluorophenyl)-2-methylquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-8-(4-fluorophenyl)-2-methyl-cinchoninamide Formula: C26H30FN3O MolecularWeight: 419.534303

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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)NCCCN4CCCCCC4

Isomeric SMILES

CC1=NC2=C(C=CC=C2C3=CC=C(C=C3)F)C(=C1)C(=O)NCCCN4CCCCCC4

InChI

InChI=1S/C26H30FN3O/c1-19-18-24(26(31)28-14-7-17-30-15-4-2-3-5-16-30)23-9-6-8-22(25(23)29-19)20-10-12-21(27)13-11-20/h6,8-13,18H,2-5,7,14-17H2,1H3,(H,28,31)