2-azanyl-N-butyl-1-dodecyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-butyl-1-dodecyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-butyl-1-dodecyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butyl-1-dodecyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-butyl-1-dodecylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-butyl-1-lauryl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H41N5O MolecularWeight: 451.64734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCCCC)N

Isomeric SMILES

CCCCCCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCCCC)N

InChI

InChI=1S/C27H41N5O/c1-3-5-7-8-9-10-11-12-13-16-20-32-25(28)23(27(33)29-19-6-4-2)24-26(32)31-22-18-15-14-17-21(22)30-24/h14-15,17-18H,3-13,16,19-20,28H2,1-2H3,(H,29,33)