nonyl 2-azanyl-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: nonyl 2-azanyl-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3,5-dimethylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C28H34N4O2 MolecularWeight: 458.59516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O2/c1-4-5-6-7-8-9-12-15-34-28(33)24-25-27(31-23-14-11-10-13-22(23)30-25)32(26(24)29)21-17-19(2)16-20(3)18-21/h10-11,13-14,16-18H,4-9,12,15,29H2,1-3H3