ethyl 2-[(3-bromophenyl)carbonylamino]-1-octan-3-yl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-[(3-bromophenyl)carbonylamino]-1-octan-3-yl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-[(3-bromobenzoyl)amino]-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-1-octan-3-yl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromobenzoyl)amino]-1-octan-3-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C28H31BrN4O3 MolecularWeight: 551.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H31BrN4O3/c1-4-7-8-14-20(5-2)33-25(32-27(34)18-12-11-13-19(29)17-18)23(28(35)36-6-3)24-26(33)31-22-16-10-9-15-21(22)30-24/h9-13,15-17,20H,4-8,14H2,1-3H3,(H,32,34)