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

Systemtic Name: nonyl 2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(3-chloro-4-fluoro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-chloro-4-fluorophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(3-chloro-4-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C26H28ClFN4O2 MolecularWeight: 482.977523

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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)F)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClFN4O2/c1-2-3-4-5-6-7-10-15-34-26(33)22-23-25(31-21-12-9-8-11-20(21)30-23)32(24(22)29)17-13-14-19(28)18(27)16-17/h8-9,11-14,16H,2-7,10,15,29H2,1H3