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

Systemtic Name: 2-azanyl-1-[(4-methoxyphenyl)methyl]-N-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(4-methoxyphenyl)methyl]-N-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(4-methoxyphenyl)methyl]-N-octyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(4-methoxyphenyl)methyl]-N-octylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-octyl-1-p-anisyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)OC)N

Isomeric SMILES

CCCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)OC)N

InChI

InChI=1S/C27H33N5O2/c1-3-4-5-6-7-10-17-29-27(33)23-24-26(31-22-12-9-8-11-21(22)30-24)32(25(23)28)18-19-13-15-20(34-2)16-14-19/h8-9,11-16H,3-7,10,17-18,28H2,1-2H3,(H,29,33)