nonyl 2-azanyl-1-(3-fluoranyl-4-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: nonyl 2-azanyl-1-(3-fluoranyl-4-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(3-fluoro-4-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-fluoro-4-methylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(3-fluoro-4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-fluoro-4-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C27H31FN4O2 MolecularWeight: 462.559043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)C)F)N

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)C)F)N

InChI

InChI=1S/C27H31FN4O2/c1-3-4-5-6-7-8-11-16-34-27(33)23-24-26(31-22-13-10-9-12-21(22)30-24)32(25(23)29)19-15-14-18(2)20(28)17-19/h9-10,12-15,17H,3-8,11,16,29H2,1-2H3