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

Systemtic Name: 2-azanyl-1-(4-butoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butoxyphenyl)-N-[(4-fluorophenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butoxyphenyl)-N-(4-fluorobenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C28H26FN5O2 MolecularWeight: 483.536743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=C(C=C5)F)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=C(C=C5)F)N

InChI

InChI=1S/C28H26FN5O2/c1-2-3-16-36-21-14-12-20(13-15-21)34-26(30)24(28(35)31-17-18-8-10-19(29)11-9-18)25-27(34)33-23-7-5-4-6-22(23)32-25/h4-15H,2-3,16-17,30H2,1H3,(H,31,35)