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

Systemtic Name: ethyl 3-[2-azanyl-3-[(4-methylphenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: ethyl 3-[2-amino-3-(p-tolylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 3-[2-amino-3-[[(4-methylphenyl)methylamino]-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-amino-3-[(4-methylphenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 3-[2-amino-3-[(4-methylbenzyl)carbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid ethyl ester Formula: C28H25N5O3 MolecularWeight: 479.5298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=C(C=C5)C)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=C(C=C5)C)N

InChI

InChI=1S/C28H25N5O3/c1-3-36-28(35)19-7-6-8-20(15-19)33-25(29)23(27(34)30-16-18-13-11-17(2)12-14-18)24-26(33)32-22-10-5-4-9-21(22)31-24/h4-15H,3,16,29H2,1-2H3,(H,30,34)