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

Systemtic Name: 2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-dodecyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-dodecyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-dodecyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-dodecylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-lauryl-N-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C31H39N5O3 MolecularWeight: 529.67306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CCCCCCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C31H39N5O3/c1-2-3-4-5-6-7-8-9-10-13-18-36-29(32)27(28-30(36)35-24-15-12-11-14-23(24)34-28)31(37)33-20-22-16-17-25-26(19-22)39-21-38-25/h11-12,14-17,19H,2-10,13,18,20-21,32H2,1H3,(H,33,37)