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

Systemtic Name: butyl 4-[2-azanyl-3-(propylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: butyl 4-[2-amino-3-(propylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[oxo(propylamino)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[2-amino-3-(propylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(propylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid butyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC)N

InChI

InChI=1S/C25H27N5O3/c1-3-5-15-33-25(32)16-10-12-17(13-11-16)30-22(26)20(24(31)27-14-4-2)21-23(30)29-19-9-7-6-8-18(19)28-21/h6-13H,3-5,14-15,26H2,1-2H3,(H,27,31)