methyl 3-[4-[[(3-azanylpyridin-4-yl)amino]methyl]phenyl]carbonyl-6-bromanyl-1-(dimethylcarbamoyl)indole-4-carboxylate

Systemtic Name: methyl 3-[4-[[(3-azanylpyridin-4-yl)amino]methyl]phenyl]carbonyl-6-bromanyl-1-(dimethylcarbamoyl)indole-4-carboxylate Openeye Name: methyl 3-[4-[[(3-amino-4-pyridyl)amino]methyl]benzoyl]-6-bromo-1-(dimethylcarbamoyl)indole-4-carboxylate CAS Name: 3-[[4-[[(3-amino-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-6-bromo-1-[dimethylamino(oxo)methyl]-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[[(3-aminopyridin-4-yl)amino]methyl]benzoyl]-6-bromo-1-(dimethylcarbamoyl)indole-4-carboxylate Traditional Name: 3-[4-[[(3-amino-4-pyridyl)amino]methyl]benzoyl]-6-bromo-1-(dimethylcarbamoyl)indole-4-carboxylic acid methyl ester Formula: C26H24BrN5O4 MolecularWeight: 550.40386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C=C(C2=C1C=C(C=C2C(=O)OC)Br)C(=O)C3=CC=C(C=C3)CNC4=C(C=NC=C4)N

Isomeric SMILES

CN(C)C(=O)N1C=C(C2=C1C=C(C=C2C(=O)OC)Br)C(=O)C3=CC=C(C=C3)CNC4=C(C=NC=C4)N

InChI

InChI=1S/C26H24BrN5O4/c1-31(2)26(35)32-14-19(23-18(25(34)36-3)10-17(27)11-22(23)32)24(33)16-6-4-15(5-7-16)12-30-21-8-9-29-13-20(21)28/h4-11,13-14H,12,28H2,1-3H3,(H,29,30)