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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-8-(p-tolyl)quinoline-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-methyl-8-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-8-(p-tolyl)cinchoninamide Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3C(=O)NCCN4CCCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3C(=O)NCCN4CCCCCC4)C

InChI

InChI=1S/C26H31N3O/c1-19-10-12-21(13-11-19)22-8-7-9-23-24(18-20(2)28-25(22)23)26(30)27-14-17-29-15-5-3-4-6-16-29/h7-13,18H,3-6,14-17H2,1-2H3,(H,27,30)