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

Systemtic Name: propyl 4-[2-azanyl-3-(3-methylbutylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c1-4-15-34-26(33)17-9-11-18(12-10-17)31-23(27)21(25(32)28-14-13-16(2)3)22-24(31)30-20-8-6-5-7-19(20)29-22/h5-12,16H,4,13-15,27H2,1-3H3,(H,28,32)