4-azanyl-N-[4-[(5-bromanylpyridin-3-yl)carbonylamino]phenyl]-2-methyl-quinoline-6-carboxamide

Systemtic Name: 4-azanyl-N-[4-[(5-bromanylpyridin-3-yl)carbonylamino]phenyl]-2-methyl-quinoline-6-carboxamide Openeye Name: 4-amino-N-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]-2-methyl-quinoline-6-carboxamide CAS Name: 4-amino-N-[4-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]phenyl]-2-methyl-6-quinolinecarboxamide IUPAC Name: 4-amino-N-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]-2-methylquinoline-6-carboxamide Traditional Name: 4-amino-N-[4-[(5-bromonicotinoyl)amino]phenyl]-2-methyl-quinoline-6-carboxamide Formula: C23H18BrN5O2 MolecularWeight: 476.32532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CN=C4)Br)C(=C1)N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CN=C4)Br)C(=C1)N

InChI

InChI=1S/C23H18BrN5O2/c1-13-8-20(25)19-10-14(2-7-21(19)27-13)22(30)28-17-3-5-18(6-4-17)29-23(31)15-9-16(24)12-26-11-15/h2-12H,1H3,(H2,25,27)(H,28,30)(H,29,31)