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

Systemtic Name: 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-14(17-9-5-4-6-10-17)23-22(29)18-11-7-8-12-19(18)24-20(28)13-26-16(3)21(27(30)31)15(2)25-26/h4-12,14H,13H2,1-3H3,(H,23,29)(H,24,28)