2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-fluorophenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-(4-fluorobenzyl)-1-homoveratryl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C28H26FN5O3 MolecularWeight: 499.536143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=C(C=C5)F)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=C(C=C5)F)N)OC

InChI

InChI=1S/C28H26FN5O3/c1-36-22-12-9-17(15-23(22)37-2)13-14-34-26(30)24(28(35)31-16-18-7-10-19(29)11-8-18)25-27(34)33-21-6-4-3-5-20(21)32-25/h3-12,15H,13-14,16,30H2,1-2H3,(H,31,35)