N-[(E)-4-(6-acetamidopyridin-3-yl)-1-bromanyl-1-(2,6-dimethylphenyl)-2-oxidanylidene-but-3-enyl]-2-azanyl-N-methyl-ethanamide

Systemtic Name: N-[(E)-4-(6-acetamidopyridin-3-yl)-1-bromanyl-1-(2,6-dimethylphenyl)-2-oxidanylidene-but-3-enyl]-2-azanyl-N-methyl-ethanamide Openeye Name: N-[(E)-4-(6-acetamido-3-pyridyl)-1-bromo-1-(2,6-dimethylphenyl)-2-oxo-but-3-enyl]-2-amino-N-methyl-acetamide CAS Name: N-[(E)-4-(6-acetamido-3-pyridinyl)-1-bromo-1-(2,6-dimethylphenyl)-2-oxobut-3-enyl]-2-amino-N-methylacetamide IUPAC Name: N-[(E)-4-(6-acetamidopyridin-3-yl)-1-bromo-1-(2,6-dimethylphenyl)-2-oxobut-3-enyl]-2-amino-N-methylacetamide Traditional Name: N-[(E)-4-(6-acetamido-3-pyridyl)-1-bromo-1-(2,6-dimethylphenyl)-2-keto-but-3-enyl]-2-amino-N-methyl-acetamide Formula: C22H25BrN4O3 MolecularWeight: 473.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(C(=O)C=CC2=CN=C(C=C2)NC(=O)C)(N(C)C(=O)CN)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(C(=O)/C=C/C2=CN=C(C=C2)NC(=O)C)(N(C)C(=O)CN)Br

InChI

InChI=1S/C22H25BrN4O3/c1-14-6-5-7-15(2)21(14)22(23,27(4)20(30)12-24)18(29)10-8-17-9-11-19(25-13-17)26-16(3)28/h5-11,13H,12,24H2,1-4H3,(H,25,26,28)/b10-8+