pentyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 1-benzyl-2-[(5-bromofuran-2-carbonyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 1-benzyl-2-[(5-bromofuran-2-carbonyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-benzyl-2-[(5-bromo-2-furoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C28H25BrN4O4 MolecularWeight: 561.4265

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C5=CC=C(O5)Br

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C5=CC=C(O5)Br

InChI

InChI=1S/C28H25BrN4O4/c1-2-3-9-16-36-28(35)23-24-26(31-20-13-8-7-12-19(20)30-24)33(17-18-10-5-4-6-11-18)25(23)32-27(34)21-14-15-22(29)37-21/h4-8,10-15H,2-3,9,16-17H2,1H3,(H,32,34)