1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-(3-nitrophenyl)urea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-(3-nitrophenyl)urea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-(3-nitrophenyl)urea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-methyl-3-(3-nitrophenyl)urea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methyl-3-(3-nitrophenyl)urea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-(3-nitrophenyl)urea Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-14-19(15(2)24(22-14)17-9-5-4-6-10-17)13-23(3)20(26)21-16-8-7-11-18(12-16)25(27)28/h4-12H,13H2,1-3H3,(H,21,26)