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

Systemtic Name: N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C30H27BrN4O2 MolecularWeight: 555.46498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CN5C=C(C=N5)Br

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CN5C=C(C=N5)Br

InChI

InChI=1S/C30H27BrN4O2/c1-20(2)19-37-25-7-5-6-22(14-25)29-15-27(26-8-3-4-9-28(26)34-29)30(36)33-24-12-10-21(11-13-24)17-35-18-23(31)16-32-35/h3-16,18,20H,17,19H2,1-2H3,(H,33,36)