N-(5-aminocarbonyl-1-ethyl-pyrazol-4-yl)-6-bromanyl-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(5-aminocarbonyl-1-ethyl-pyrazol-4-yl)-6-bromanyl-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(5-carbamoyl-1-ethyl-pyrazol-4-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(5-carbamoyl-1-ethyl-4-pyrazolyl)-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(5-carbamoyl-1-ethylpyrazol-4-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(5-carbamoyl-1-ethyl-pyrazol-4-yl)-2-m-phenetyl-cinchoninamide Formula: C24H22BrN5O3 MolecularWeight: 508.36718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OCC)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OCC)C(=O)N

InChI

InChI=1S/C24H22BrN5O3/c1-3-30-22(23(26)31)21(13-27-30)29-24(32)18-12-20(14-6-5-7-16(10-14)33-4-2)28-19-9-8-15(25)11-17(18)19/h5-13H,3-4H2,1-2H3,(H2,26,31)(H,29,32)