2-azanyl-N-octyl-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-octyl-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-octyl-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-octyl-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-octyl-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-octyl-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)N

Isomeric SMILES

CCCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)N

InChI

InChI=1S/C27H33N5O/c1-2-3-4-5-6-12-18-29-27(33)23-24-26(31-22-16-11-10-15-21(22)30-24)32(25(23)28)19-17-20-13-8-7-9-14-20/h7-11,13-16H,2-6,12,17-19,28H2,1H3,(H,29,33)