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

Systemtic Name: ethyl 4-[2-azanyl-3-(3-methylbutylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: ethyl 4-[2-amino-3-(isopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[(3-methylbutylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-amino-3-(3-methylbutylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(isoamylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid ethyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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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)NCCC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c1-4-33-25(32)16-9-11-17(12-10-16)30-22(26)20(24(31)27-14-13-15(2)3)21-23(30)29-19-8-6-5-7-18(19)28-21/h5-12,15H,4,13-14,26H2,1-3H3,(H,27,31)