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

Systemtic Name: ethyl 4-[2-azanyl-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: ethyl 4-[2-amino-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[(3-ethoxypropylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-amino-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid ethyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OCC)N

Isomeric SMILES

CCOCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OCC)N

InChI

InChI=1S/C25H27N5O4/c1-3-33-15-7-14-27-24(31)20-21-23(29-19-9-6-5-8-18(19)28-21)30(22(20)26)17-12-10-16(11-13-17)25(32)34-4-2/h5-6,8-13H,3-4,7,14-15,26H2,1-2H3,(H,27,31)