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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(N)N)C=CC3=O)Br

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(N)N)C=CC3=O)Br

InChI

InChI=1S/C21H23BrN4O3/c22-17-12-15(3-5-16(17)21(29)26-9-1-2-10-26)20(28)25-8-7-13-11-14(19(23)24)4-6-18(13)27/h3-6,11-12H,1-2,7-10,23-24H2,(H,25,28)