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

Systemtic Name: methyl 4-[2-azanyl-3-(phenethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N5O3/c1-35-27(34)18-11-13-19(14-12-18)32-24(28)22(26(33)29-16-15-17-7-3-2-4-8-17)23-25(32)31-21-10-6-5-9-20(21)30-23/h2-14H,15-16,28H2,1H3,(H,29,33)