4-[(E)-3-[2-[3-azanyl-1-bromanyl-1-(methylamino)-2-oxidanylidene-propyl]phenyl]-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide

Systemtic Name: 4-[(E)-3-[2-[3-azanyl-1-bromanyl-1-(methylamino)-2-oxidanylidene-propyl]phenyl]-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide Openeye Name: 4-[(E)-3-[2-[3-amino-1-bromo-1-(methylamino)-2-oxo-propyl]phenyl]-3-oxo-prop-1-enyl]-N-methyl-benzamide CAS Name: 4-[(E)-3-[2-[3-amino-1-bromo-1-(methylamino)-2-oxopropyl]phenyl]-3-oxoprop-1-enyl]-N-methylbenzamide IUPAC Name: 4-[(E)-3-[2-[3-amino-1-bromo-1-(methylamino)-2-oxopropyl]phenyl]-3-oxoprop-1-enyl]-N-methylbenzamide Traditional Name: 4-[(E)-3-[2-[3-amino-1-bromo-2-keto-1-(methylamino)propyl]phenyl]-3-keto-prop-1-enyl]-N-methyl-benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2C(C(=O)CN)(NC)Br

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2C(C(=O)CN)(NC)Br

InChI

InChI=1S/C21H22BrN3O3/c1-24-20(28)15-10-7-14(8-11-15)9-12-18(26)16-5-3-4-6-17(16)21(22,25-2)19(27)13-23/h3-12,25H,13,23H2,1-2H3,(H,24,28)/b12-9+