N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)-6-fluoranyl-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)-6-fluoranyl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)-6-fluoro-quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)-6-fluoro-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-6-fluoro-N-piperonyl-cinchoninamide Formula: C26H21FN2O3 MolecularWeight: 428.454943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C26H21FN2O3/c1-15-3-5-18(9-16(15)2)23-12-21(20-11-19(27)6-7-22(20)29-23)26(30)28-13-17-4-8-24-25(10-17)32-14-31-24/h3-12H,13-14H2,1-2H3,(H,28,30)