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

Systemtic Name: 2-azanyl-1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N-(2-methoxyethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H19BrN6O3 MolecularWeight: 483.31796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN6O3/c1-31-9-8-24-21(30)17-18-20(27-15-5-3-2-4-14(15)26-18)28(19(17)23)25-11-12-10-13(22)6-7-16(12)29/h2-7,10-11,25H,8-9,23H2,1H3,(H,24,30)