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

Systemtic Name: (phenylmethyl) 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C25H19FN4O2 MolecularWeight: 426.442363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=C(C=C5)F)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=C(C=C5)F)N

InChI

InChI=1S/C25H19FN4O2/c26-18-12-10-16(11-13-18)14-30-23(27)21(25(31)32-15-17-6-2-1-3-7-17)22-24(30)29-20-9-5-4-8-19(20)28-22/h1-13H,14-15,27H2