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

Systemtic Name: 2-azanyl-1-(4-butoxyphenyl)-N-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butoxyphenyl)-N-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butoxyphenyl)-N-(3-fluorophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butoxyphenyl)-N-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butoxyphenyl)-N-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H24FN5O2 MolecularWeight: 469.510163

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)NC5=CC(=CC=C5)F)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=CC(=CC=C5)F)N

InChI

InChI=1S/C27H24FN5O2/c1-2-3-15-35-20-13-11-19(12-14-20)33-25(29)23(27(34)30-18-8-6-7-17(28)16-18)24-26(33)32-22-10-5-4-9-21(22)31-24/h4-14,16H,2-3,15,29H2,1H3,(H,30,34)