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

Systemtic Name: methyl 4-[2-azanyl-3-(3-methylbutylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: methyl 4-[2-amino-3-(isopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[(3-methylbutylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-(3-methylbutylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(isoamylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid methyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OC)N

Isomeric SMILES

CC(C)CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OC)N

InChI

InChI=1S/C24H25N5O3/c1-14(2)12-13-26-23(30)19-20-22(28-18-7-5-4-6-17(18)27-20)29(21(19)25)16-10-8-15(9-11-16)24(31)32-3/h4-11,14H,12-13,25H2,1-3H3,(H,26,30)