methyl 3-[4-[[(3-azanylpyridin-4-yl)amino]methyl]phenyl]carbonyl-6-bromanyl-2-(dimethylcarbamoyl)-1H-indole-4-carboxylate

Systemtic Name: methyl 3-[4-[[(3-azanylpyridin-4-yl)amino]methyl]phenyl]carbonyl-6-bromanyl-2-(dimethylcarbamoyl)-1H-indole-4-carboxylate Openeye Name: methyl 3-[4-[[(3-amino-4-pyridyl)amino]methyl]benzoyl]-6-bromo-2-(dimethylcarbamoyl)-1H-indole-4-carboxylate CAS Name: 3-[[4-[[(3-amino-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-6-bromo-2-[dimethylamino(oxo)methyl]-1H-indole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[[(3-aminopyridin-4-yl)amino]methyl]benzoyl]-6-bromo-2-(dimethylcarbamoyl)-1H-indole-4-carboxylate Traditional Name: 3-[4-[[(3-amino-4-pyridyl)amino]methyl]benzoyl]-6-bromo-2-(dimethylcarbamoyl)-1H-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)C1=C(C2=C(N1)C=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)C1=C(C2=C(N1)C=C(C=C2C(=O)OC)Br)C(=O)C3=CC=C(C=C3)CNC4=C(C=NC=C4)N

InChI

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