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

Systemtic Name: N-(3-cyclohexyloxypropyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[3-(cyclohexoxy)propyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(3-cyclohexyloxypropyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(3-cyclohexyloxypropyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[3-(cyclohexoxy)propyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCCOC3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCCOC3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O4/c1-16-21(26(28)29)17(2)25(24-16)15-18-9-11-19(12-10-18)22(27)23-13-6-14-30-20-7-4-3-5-8-20/h9-12,20H,3-8,13-15H2,1-2H3,(H,23,27)