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

Systemtic Name: 2-azanyl-1-[(E)-(4-fluorophenyl)methylideneamino]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(E)-(4-fluorophenyl)methyleneamino]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(E)-(4-fluorophenyl)methylideneamino]-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-(4-fluorophenyl)methylideneamino]-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(E)-(4-fluorobenzylidene)amino]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H27FN6O MolecularWeight: 446.519883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC=C(C=C4)F)N

Isomeric SMILES

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)/N=C/C4=CC=C(C=C4)F)N

InChI

InChI=1S/C25H27FN6O/c1-2-3-4-5-8-15-28-25(33)21-22-24(31-20-10-7-6-9-19(20)30-22)32(23(21)27)29-16-17-11-13-18(26)14-12-17/h6-7,9-14,16H,2-5,8,15,27H2,1H3,(H,28,33)/b29-16+