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

Systemtic Name: (phenylmethyl) 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C26H20N4O4 MolecularWeight: 452.4614

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=NC5=CC=CC=C5N=C43)C(=O)OCC6=CC=CC=C6)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=NC5=CC=CC=C5N=C43)C(=O)OCC6=CC=CC=C6)N

InChI

InChI=1S/C26H20N4O4/c27-24-22(26(31)32-14-16-6-2-1-3-7-16)23-25(29-19-9-5-4-8-18(19)28-23)30(24)13-17-10-11-20-21(12-17)34-15-33-20/h1-12H,13-15,27H2