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

Systemtic Name: 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-heptyl-1-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C26H29N5O3/c1-2-3-4-5-8-13-28-26(32)22-23-25(30-19-10-7-6-9-18(19)29-23)31(24(22)27)15-17-11-12-20-21(14-17)34-16-33-20/h6-7,9-12,14H,2-5,8,13,15-16,27H2,1H3,(H,28,32)