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

Systemtic Name: ethyl 4-[2-azanyl-3-(phenethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: ethyl 4-[2-amino-3-(phenethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[oxo-(phenethylamino)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-amino-3-(phenethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(phenethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]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)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N

InChI

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