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

Systemtic Name: ethyl 4-[[2-azanyl-1-(phenylmethyl)pyrrolo[3,2-b]quinoxalin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(2-amino-1-benzyl-pyrrolo[3,2-b]quinoxaline-3-carbonyl)amino]benzoate CAS Name: 4-[[[2-amino-1-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carbonyl)amino]benzoate Traditional Name: 4-[(2-amino-1-benzyl-pyrrolo[3,2-b]quinoxaline-3-carbonyl)amino]benzoic acid ethyl ester Formula: C27H23N5O3 MolecularWeight: 465.50322

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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)CC5=CC=CC=C5)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=CC=C5)N

InChI

InChI=1S/C27H23N5O3/c1-2-35-27(34)18-12-14-19(15-13-18)29-26(33)22-23-25(31-21-11-7-6-10-20(21)30-23)32(24(22)28)16-17-8-4-3-5-9-17/h3-15H,2,16,28H2,1H3,(H,29,33)