3-(1-adamantyl)-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C33H31ClN4O4 MolecularWeight: 583.07664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)Cl

InChI

InChI=1S/C33H31ClN4O4/c1-20-9-27(7-8-30(20)34)42-28-14-24(13-26(15-28)38(40)41)35-32(39)29-19-37(25-5-3-2-4-6-25)36-31(29)33-16-21-10-22(17-33)12-23(11-21)18-33/h2-9,13-15,19,21-23H,10-12,16-18H2,1H3,(H,35,39)