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

Systemtic Name: 2-azanyl-N-(1,3-benzodioxol-5-yl)-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(1,3-benzodioxol-5-yl)-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(1,3-benzodioxol-5-yl)-1-butyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(1,3-benzodioxol-5-yl)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-(1,3-benzodioxol-5-yl)-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C22H21N5O3/c1-2-3-10-27-20(23)18(19-21(27)26-15-7-5-4-6-14(15)25-19)22(28)24-13-8-9-16-17(11-13)30-12-29-16/h4-9,11H,2-3,10,12,23H2,1H3,(H,24,28)