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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-ethanoylpiperidin-4-yl)benzamide Openeye Name: N-(1-acetyl-4-piperidyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(1-acetyl-4-piperidinyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(1-acetylpiperidin-4-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(1-acetyl-4-piperidyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-13-19(25(28)29)14(2)24(22-13)12-16-4-6-17(7-5-16)20(27)21-18-8-10-23(11-9-18)15(3)26/h4-7,18H,8-12H2,1-3H3,(H,21,27)