N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-7-fluoranyl-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-7-fluoranyl-2-methyl-quinoline-4-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-7-fluoro-2-methyl-quinoline-4-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-7-fluoro-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-7-fluoro-2-methylquinoline-4-carboxamide Traditional Name: 7-fluoro-2-methyl-N-(4-methyl-5-piperonyl-thiazol-2-yl)cinchoninamide Formula: C23H18FN3O3S MolecularWeight: 435.470723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=NC(=C(S3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=NC(=C(S3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H18FN3O3S/c1-12-7-17(16-5-4-15(24)10-18(16)25-12)22(28)27-23-26-13(2)21(31-23)9-14-3-6-19-20(8-14)30-11-29-19/h3-8,10H,9,11H2,1-2H3,(H,26,27,28)