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

Systemtic Name: 2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-benzyl-N-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)CC6=CC=CC=C6)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)CC6=CC=CC=C6)N

InChI

InChI=1S/C26H21N5O3/c27-24-22(26(32)28-13-17-10-11-20-21(12-17)34-15-33-20)23-25(30-19-9-5-4-8-18(19)29-23)31(24)14-16-6-2-1-3-7-16/h1-12H,13-15,27H2,(H,28,32)