2-azanyl-1-[(E)-(3-bromophenyl)methylideneamino]-N-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-[(E)-(3-bromophenyl)methylideneamino]-N-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(E)-(3-bromophenyl)methyleneamino]-N-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(E)-(3-bromophenyl)methylideneamino]-N-pentyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-(3-bromophenyl)methylideneamino]-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-amyl-1-[(E)-(3-bromobenzylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C23H23BrN6O MolecularWeight: 479.37232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC(=CC=C4)Br)N

Isomeric SMILES

CCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)/N=C/C4=CC(=CC=C4)Br)N

InChI

InChI=1S/C23H23BrN6O/c1-2-3-6-12-26-23(31)19-20-22(29-18-11-5-4-10-17(18)28-20)30(21(19)25)27-14-15-8-7-9-16(24)13-15/h4-5,7-11,13-14H,2-3,6,12,25H2,1H3,(H,26,31)/b27-14+