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

Systemtic Name: heptyl 2-azanyl-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2,5-dimethylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid heptyl ester Formula: C26H30N4O2 MolecularWeight: 430.542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O2/c1-4-5-6-7-10-15-32-26(31)22-23-25(29-20-12-9-8-11-19(20)28-23)30(24(22)27)21-16-17(2)13-14-18(21)3/h8-9,11-14,16H,4-7,10,15,27H2,1-3H3