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

Systemtic Name: 2-azanyl-1-[(E)-(3-bromophenyl)methylideneamino]-N-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(E)-(3-bromophenyl)methyleneamino]-N-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(E)-(3-bromophenyl)methylideneamino]-N-butyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-(3-bromophenyl)methylideneamino]-N-butylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(E)-(3-bromobenzylidene)amino]-N-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H21BrN6O MolecularWeight: 465.34574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN6O/c1-2-3-11-25-22(30)18-19-21(28-17-10-5-4-9-16(17)27-19)29(20(18)24)26-13-14-7-6-8-15(23)12-14/h4-10,12-13H,2-3,11,24H2,1H3,(H,25,30)/b26-13+