2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N-(3-bromanyl-4-pyrrolidin-1-ylcarbonyl-phenyl)propanamide

Systemtic Name: 2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N-(3-bromanyl-4-pyrrolidin-1-ylcarbonyl-phenyl)propanamide Openeye Name: N-[3-bromo-4-(pyrrolidine-1-carbonyl)phenyl]-2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]propanamide CAS Name: N-[3-bromo-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-2-[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]propanamide IUPAC Name: N-[3-bromo-4-(pyrrolidine-1-carbonyl)phenyl]-2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]propanamide Traditional Name: N-[3-bromo-4-(pyrrolidine-1-carbonyl)phenyl]-2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]propionamide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(N)N)C=CC1=O)C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC3)Br

Isomeric SMILES

CC(C1=CC(=C(N)N)C=CC1=O)C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC3)Br

InChI

InChI=1S/C21H23BrN4O3/c1-12(16-10-13(19(23)24)4-7-18(16)27)20(28)25-14-5-6-15(17(22)11-14)21(29)26-8-2-3-9-26/h4-7,10-12H,2-3,8-9,23-24H2,1H3,(H,25,28)