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

Systemtic Name: nonyl 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 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 nonyl ester IUPAC Name: nonyl 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 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)CC4=CC=C(C=C4)F)N

Isomeric SMILES

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

InChI

InChI=1S/C27H31FN4O2/c1-2-3-4-5-6-7-10-17-34-27(33)23-24-26(31-22-12-9-8-11-21(22)30-24)32(25(23)29)18-19-13-15-20(28)16-14-19/h8-9,11-16H,2-7,10,17-18,29H2,1H3