N-[(2S)-1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C(C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)[C@H](C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-14-20(16(3)26(25-14)18-9-5-4-6-10-18)13-23-21(28)15(2)24-22(29)17-8-7-11-19(12-17)27(30)31/h4-12,15H,13H2,1-3H3,(H,23,28)(H,24,29)/t15-/m0/s1