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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(C)CC3=CC=CC=C3Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(C)CC3=CC=CC=C3Br)C)[N+](=O)[O-]

InChI

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