3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-[(2-nitrophenyl)amino]ethyl]pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-[(2-nitrophenyl)amino]ethyl]pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[2-(2-nitroanilino)ethyl]-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-(2-nitroanilino)ethyl]-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-(2-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)-N-[2-(2-nitroanilino)ethyl]pyrazole-4-carboxamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C22H25N5O3/c1-15-8-10-18(11-9-15)14-26-17(3)21(16(2)25-26)22(28)24-13-12-23-19-6-4-5-7-20(19)27(29)30/h4-11,23H,12-14H2,1-3H3,(H,24,28)