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

Systemtic Name: 3,5-dimethyl-N-[2-[(4-nitrophenyl)amino]ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[2-(4-nitroanilino)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3,5-dimethyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-15-20(16(2)25(24-15)14-17-6-4-3-5-7-17)21(27)23-13-12-22-18-8-10-19(11-9-18)26(28)29/h3-11,22H,12-14H2,1-2H3,(H,23,27)