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

Systemtic Name: 5-chloranyl-3-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[2-(4-nitroanilino)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN5O3/c1-14-18(19(21)25(24-14)13-15-5-3-2-4-6-15)20(27)23-12-11-22-16-7-9-17(10-8-16)26(28)29/h2-10,22H,11-13H2,1H3,(H,23,27)