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

Systemtic Name: ethyl 3-[2-azanyl-3-(2-methylpropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: ethyl 3-[2-amino-3-(isobutylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 3-[2-amino-3-[(2-methylpropylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-amino-3-(2-methylpropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 3-[2-amino-3-(isobutylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid ethyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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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)NCC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O3/c1-4-32-24(31)15-8-7-9-16(12-15)29-21(25)19(23(30)26-13-14(2)3)20-22(29)28-18-11-6-5-10-17(18)27-20/h5-12,14H,4,13,25H2,1-3H3,(H,26,30)