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

Systemtic Name: butyl 4-[2-azanyl-3-(3-methylbutylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC(C)C)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC(C)C)N

InChI

InChI=1S/C27H31N5O3/c1-4-5-16-35-27(34)18-10-12-19(13-11-18)32-24(28)22(26(33)29-15-14-17(2)3)23-25(32)31-21-9-7-6-8-20(21)30-23/h6-13,17H,4-5,14-16,28H2,1-3H3,(H,29,33)