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

Systemtic Name: ethyl 2-[(3-bromophenyl)carbonylamino]-1-(2-ethylhexyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-[(3-bromobenzoyl)amino]-1-(2-ethylhexyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-1-(2-ethylhexyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromobenzoyl)amino]-1-(2-ethylhexyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-1-(2-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:

CCCCC(CC)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCCC(CC)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H31BrN4O3/c1-4-7-11-18(5-2)17-33-25(32-27(34)19-12-10-13-20(29)16-19)23(28(35)36-6-3)24-26(33)31-22-15-9-8-14-21(22)30-24/h8-10,12-16,18H,4-7,11,17H2,1-3H3,(H,32,34)