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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-methyl-8-(p-tolyl)quinoline-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-2-methyl-8-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-methyl-8-(p-tolyl)cinchoninamide Formula: C27H33N3O MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3C(=O)NCCCN4CCCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3C(=O)NCCCN4CCCCCC4)C

InChI

InChI=1S/C27H33N3O/c1-20-11-13-22(14-12-20)23-9-7-10-24-25(19-21(2)29-26(23)24)27(31)28-15-8-18-30-16-5-3-4-6-17-30/h7,9-14,19H,3-6,8,15-18H2,1-2H3,(H,28,31)