N-[(2-chloranyl-5-nitro-phenyl)methyl]-N,3,5-trimethyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N,3,5-trimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2-chloro-5-nitro-phenyl)methyl]-N,3,5-trimethyl-pyrazole-4-carboxamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N,3,5-trimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2-chloro-5-nitrophenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(2-chloro-5-nitro-benzyl)-N,3,5-trimethyl-pyrazole-4-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O3/c1-14-20(15(2)25(23-14)12-16-7-5-4-6-8-16)21(27)24(3)13-17-11-18(26(28)29)9-10-19(17)22/h4-11H,12-13H2,1-3H3