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

Systemtic Name: ethyl 3-[2-azanyl-3-(cyclopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: ethyl 3-[2-amino-3-(cyclopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 3-[2-amino-3-[(cyclopentylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-amino-3-(cyclopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 3-[2-amino-3-(cyclopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid ethyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5CCCC5)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5CCCC5)N

InChI

InChI=1S/C25H25N5O3/c1-2-33-25(32)15-8-7-11-17(14-15)30-22(26)20(24(31)27-16-9-3-4-10-16)21-23(30)29-19-13-6-5-12-18(19)28-21/h5-8,11-14,16H,2-4,9-10,26H2,1H3,(H,27,31)