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

Systemtic Name: methyl 4-[2-azanyl-3-(cyclohexylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: methyl 4-[2-amino-3-(cyclohexylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[(cyclohexylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-(cyclohexylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(cyclohexylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid methyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5CCCCC5)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5CCCCC5)N

InChI

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