2-methylbutyl 2-azanyl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: 2-methylbutyl 2-azanyl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: 2-methylbutyl 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-butylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid 2-methylbutyl ester Formula: C26H30N4O2 MolecularWeight: 430.542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCC(C)CC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCC(C)CC)N

InChI

InChI=1S/C26H30N4O2/c1-4-6-9-18-12-14-19(15-13-18)30-24(27)22(26(31)32-16-17(3)5-2)23-25(30)29-21-11-8-7-10-20(21)28-23/h7-8,10-15,17H,4-6,9,16,27H2,1-3H3