2-azanyl-N-(2-bromanyl-4-cyano-phenyl)-4-methyl-pentanamide

Systemtic Name: 2-azanyl-N-(2-bromanyl-4-cyano-phenyl)-4-methyl-pentanamide Openeye Name: 2-amino-N-(2-bromo-4-cyano-phenyl)-4-methyl-pentanamide CAS Name: 2-amino-N-(2-bromo-4-cyanophenyl)-4-methylpentanamide IUPAC Name: 2-amino-N-(2-bromo-4-cyanophenyl)-4-methylpentanamide Traditional Name: 2-amino-N-(2-bromo-4-cyano-phenyl)-4-methyl-valeramide Formula: C13H16BrN3O MolecularWeight: 310.18964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=C(C=C(C=C1)C#N)Br)N

Isomeric SMILES

CC(C)CC(C(=O)NC1=C(C=C(C=C1)C#N)Br)N

InChI

InChI=1S/C13H16BrN3O/c1-8(2)5-11(16)13(18)17-12-4-3-9(7-15)6-10(12)14/h3-4,6,8,11H,5,16H2,1-2H3,(H,17,18)