2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-phenethyl-1-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H23N5O3 MolecularWeight: 465.50322

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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)NCCC6=CC=CC=C6)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=NC5=CC=CC=C5N=C43)C(=O)NCCC6=CC=CC=C6)N

InChI

InChI=1S/C27H23N5O3/c28-25-23(27(33)29-13-12-17-6-2-1-3-7-17)24-26(31-20-9-5-4-8-19(20)30-24)32(25)15-18-10-11-21-22(14-18)35-16-34-21/h1-11,14H,12-13,15-16,28H2,(H,29,33)