2-(1,3-benzodioxol-5-yl)-N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]cinchoninamide Formula: C27H19BrN4O3 MolecularWeight: 527.36876

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=C(C=C5)CN6C=C(C=N6)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=C(C=C5)CN6C=C(C=N6)Br

InChI

InChI=1S/C27H19BrN4O3/c28-19-13-29-32(15-19)14-17-5-8-20(9-6-17)30-27(33)22-12-24(31-23-4-2-1-3-21(22)23)18-7-10-25-26(11-18)35-16-34-25/h1-13,15H,14,16H2,(H,30,33)