tert-butyl 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: tert-butyl 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: tert-butyl 2-amino-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[(4-fluorophenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-fluorobenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid tert-butyl ester Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)F)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)F)N

InChI

InChI=1S/C22H21FN4O2/c1-22(2,3)29-21(28)17-18-20(26-16-7-5-4-6-15(16)25-18)27(19(17)24)12-13-8-10-14(23)11-9-13/h4-11H,12,24H2,1-3H3