N-[1-(2-bromophenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[1-(2-bromophenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[1-(2-bromophenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[1-(2-bromophenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[1-(2-bromophenyl)ethyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[1-(2-bromophenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3Br)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21BrN4O3/c1-13(18-6-4-5-7-19(18)22)23-21(27)17-10-8-16(9-11-17)12-25-15(3)20(26(28)29)14(2)24-25/h4-11,13H,12H2,1-3H3,(H,23,27)