propyl 4-[2-azanyl-3-(butan-2-ylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate

Systemtic Name: propyl 4-[2-azanyl-3-(butan-2-ylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: propyl 4-[2-amino-3-(sec-butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[(butan-2-ylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[2-amino-3-(butan-2-ylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(sec-butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid propyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)CC)N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)CC)N

InChI

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