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

Systemtic Name: octyl 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C26H29FN4O2 MolecularWeight: 448.532463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN4O2/c1-2-3-4-5-6-9-16-33-26(32)22-23-25(30-21-11-8-7-10-20(21)29-23)31(24(22)28)17-18-12-14-19(27)15-13-18/h7-8,10-15H,2-6,9,16-17,28H2,1H3