2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-6-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-6-methyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-6-methyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-6-methylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[1-(2-fluorobenzyl)pyrazol-4-yl]-6-methyl-cinchoninamide Formula: C28H21FN4O3 MolecularWeight: 480.489743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=CN(N=C3)CC4=CC=CC=C4F)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=CN(N=C3)CC4=CC=CC=C4F)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H21FN4O3/c1-17-6-8-24-21(10-17)22(12-25(32-24)18-7-9-26-27(11-18)36-16-35-26)28(34)31-20-13-30-33(15-20)14-19-4-2-3-5-23(19)29/h2-13,15H,14,16H2,1H3,(H,31,34)