3-bromanyl-N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]isoindol-1-yl]benzamide

Systemtic Name: 3-bromanyl-N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]isoindol-1-yl]benzamide Openeye Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]-3-bromo-benzamide CAS Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethylidene]-1-isoindolyl]benzamide IUPAC Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-bromobenzamide Traditional Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]-3-bromo-benzamide Formula: C25H17BrN4O2 MolecularWeight: 485.33208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)Br)/C#N

InChI

InChI=1S/C25H17BrN4O2/c26-18-10-6-9-17(13-18)24(31)30-23-20-12-5-4-11-19(20)22(29-23)21(14-27)25(32)28-15-16-7-2-1-3-8-16/h1-13H,15H2,(H,28,32)(H,29,30,31)/b22-21-