N-[3-(azepan-1-yl)propyl]-2-[(3,4-dimethoxyphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(3,4-dimethoxyphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(3,4-dimethoxyanilino)-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(3,4-dimethoxyanilino)cinchoninamide Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCCCC4)OC

InChI

InChI=1S/C27H34N4O3/c1-33-24-13-12-20(18-25(24)34-2)29-26-19-22(21-10-5-6-11-23(21)30-26)27(32)28-14-9-17-31-15-7-3-4-8-16-31/h5-6,10-13,18-19H,3-4,7-9,14-17H2,1-2H3,(H,28,32)(H,29,30)