6-bromanyl-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-p-phenetyl-cinchoninamide Formula: C30H27BrN4O2 MolecularWeight: 555.46498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=C(C=C4)CN5C(=CC(=N5)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=C(C=C4)CN5C(=CC(=N5)C)C

InChI

InChI=1S/C30H27BrN4O2/c1-4-37-25-12-7-22(8-13-25)29-17-27(26-16-23(31)9-14-28(26)33-29)30(36)32-24-10-5-21(6-11-24)18-35-20(3)15-19(2)34-35/h5-17H,4,18H2,1-3H3,(H,32,36)