2-azanyl-1-(3,5-dimethoxyphenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(3,5-dimethoxyphenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3,5-dimethoxyphenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3,5-dimethoxyphenyl)-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3,5-dimethoxyphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3,5-dimethoxyphenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H31N5O3 MolecularWeight: 461.55604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O3/c1-4-5-6-7-10-13-28-26(32)22-23-25(30-21-12-9-8-11-20(21)29-23)31(24(22)27)17-14-18(33-2)16-19(15-17)34-3/h8-9,11-12,14-16H,4-7,10,13,27H2,1-3H3,(H,28,32)