2-(1,3-benzodioxol-5-yl)-8-chloranyl-N-[1-(4-ethylphenyl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-8-chloranyl-N-[1-(4-ethylphenyl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-8-chloro-N-[1-(4-ethylphenyl)ethyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-8-chloro-N-[1-(4-ethylphenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-8-chloro-N-[1-(4-ethylphenyl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-8-chloro-N-[1-(4-ethylphenyl)ethyl]cinchoninamide Formula: C27H23ClN2O3 MolecularWeight: 458.93612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23ClN2O3/c1-3-17-7-9-18(10-8-17)16(2)29-27(31)21-14-23(30-26-20(21)5-4-6-22(26)28)19-11-12-24-25(13-19)33-15-32-24/h4-14,16H,3,15H2,1-2H3,(H,29,31)