N-[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-keto-ethyl]-3-nitro-benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-15-20(16(2)26(25-15)14-17-7-4-3-5-8-17)12-23-21(28)13-24-22(29)18-9-6-10-19(11-18)27(30)31/h3-11H,12-14H2,1-2H3,(H,23,28)(H,24,29)