N-[1-(4-butan-2-ylphenyl)propyl]-1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide Formula: C24H27ClN4O4 MolecularWeight: 470.94858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H27ClN4O4/c1-4-16(3)17-6-8-18(9-7-17)21(5-2)26-24(30)22-12-13-28(27-22)15-33-23-11-10-19(29(31)32)14-20(23)25/h6-14,16,21H,4-5,15H2,1-3H3,(H,26,30)