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

Systemtic Name: 2-azanyl-1-[(E)-(3-bromophenyl)methylideneamino]-N-prop-2-enyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: N-allyl-2-amino-1-[(E)-(3-bromophenyl)methyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(E)-(3-bromophenyl)methylideneamino]-N-prop-2-enyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-(3-bromophenyl)methylideneamino]-N-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: N-allyl-2-amino-1-[(E)-(3-bromobenzylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H17BrN6O MolecularWeight: 449.30328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN6O/c1-2-10-24-21(29)17-18-20(27-16-9-4-3-8-15(16)26-18)28(19(17)23)25-12-13-6-5-7-14(22)11-13/h2-9,11-12H,1,10,23H2,(H,24,29)/b25-12+