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

Systemtic Name: 2-azanyl-1-(1,3-benzodioxol-5-yl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(1,3-benzodioxol-5-yl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(1,3-benzodioxol-5-yl)-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(1,3-benzodioxol-5-yl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(1,3-benzodioxol-5-yl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c1-2-3-4-5-8-13-27-25(31)21-22-24(29-18-10-7-6-9-17(18)28-22)30(23(21)26)16-11-12-19-20(14-16)33-15-32-19/h6-7,9-12,14H,2-5,8,13,15,26H2,1H3,(H,27,31)