3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]propanamide

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]propanamide Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(4-nitroanilino)ethyl]propanamide CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[2-(4-nitroanilino)ethyl]propanamide IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-nitroanilino)ethyl]propanamide Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(4-nitroanilino)ethyl]propionamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-16-21(17(2)26(25-16)19-6-4-3-5-7-19)12-13-22(28)24-15-14-23-18-8-10-20(11-9-18)27(29)30/h3-11,23H,12-15H2,1-2H3,(H,24,28)