N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H19BrN6O3 MolecularWeight: 447.28586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)CN2C=C(C=N2)Br)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)CN2C=C(C=N2)Br)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H19BrN6O3/c1-3-16(24-12(2)7-17(22-24)25(27)28)18(26)21-15-6-4-5-13(8-15)10-23-11-14(19)9-20-23/h4-9,11,16H,3,10H2,1-2H3,(H,21,26)