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

Systemtic Name: N,N-dicyclohexyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N,N-dicyclohexyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N,N-dicyclohexyl-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N,N-dicyclohexyl-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N,N-dicyclohexyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(C3CCCCC3)C4CCCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(C3CCCCC3)C4CCCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H34N4O3/c1-18-24(29(31)32)19(2)27(26-18)17-20-13-15-21(16-14-20)25(30)28(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h13-16,22-23H,3-12,17H2,1-2H3