ethyl 4-[(2-azanyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(2-azanyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(2-amino-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carbonyl)amino]benzoate CAS Name: 4-[[(2-amino-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carbonyl)amino]benzoate Traditional Name: 4-[(2-amino-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carbonyl)amino]benzoic acid ethyl ester Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)N

InChI

InChI=1S/C28H25N5O3/c1-2-36-28(35)19-12-14-20(15-13-19)30-27(34)23-24-26(32-22-11-7-6-10-21(22)31-24)33(25(23)29)17-16-18-8-4-3-5-9-18/h3-15H,2,16-17,29H2,1H3,(H,30,34)