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

Systemtic Name: ethyl 2-[(3-bromophenyl)carbonylamino]-1-heptan-3-yl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-[(3-bromobenzoyl)amino]-1-(1-ethylpentyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-1-heptan-3-yl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromobenzoyl)amino]-1-heptan-3-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-1-(1-ethylpentyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C27H29BrN4O3 MolecularWeight: 537.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN4O3/c1-4-7-13-19(5-2)32-24(31-26(33)17-11-10-12-18(28)16-17)22(27(34)35-6-3)23-25(32)30-21-15-9-8-14-20(21)29-23/h8-12,14-16,19H,4-7,13H2,1-3H3,(H,31,33)