pentyl 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C24H24N4O4 MolecularWeight: 432.47176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C24H24N4O4/c1-2-3-6-11-30-24(29)20-21-23(27-17-8-5-4-7-16(17)26-21)28(22(20)25)13-15-9-10-18-19(12-15)32-14-31-18/h4-5,7-10,12H,2-3,6,11,13-14,25H2,1H3