2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN5O3/c1-14-21(15(2)26(24-14)17-7-5-4-6-8-17)23-20(28)13-25(3)12-16-11-18(27(29)30)9-10-19(16)22/h4-11H,12-13H2,1-3H3,(H,23,28)