2-azanyl-1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N-butyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N-butylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H21BrN6O2 MolecularWeight: 481.34514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)NC=C4C=C(C=CC4=O)Br)N

Isomeric SMILES

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)NC=C4C=C(C=CC4=O)Br)N

InChI

InChI=1S/C22H21BrN6O2/c1-2-3-10-25-22(31)18-19-21(28-16-7-5-4-6-15(16)27-19)29(20(18)24)26-12-13-11-14(23)8-9-17(13)30/h4-9,11-12,26H,2-3,10,24H2,1H3,(H,25,31)