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

Systemtic Name: 2-azanyl-1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H21BrN6O2 MolecularWeight: 529.38794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)NC=C5C=C(C=CC5=O)Br)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)NC=C5C=C(C=CC5=O)Br)N

InChI

InChI=1S/C26H21BrN6O2/c27-18-10-11-21(34)17(14-18)15-30-33-24(28)22(26(35)29-13-12-16-6-2-1-3-7-16)23-25(33)32-20-9-5-4-8-19(20)31-23/h1-11,14-15,30H,12-13,28H2,(H,29,35)