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

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(4-chloro-3-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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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=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=NN(C=C2)COC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C25H30ClN3O2/c1-5-17(3)19-7-9-20(10-8-19)23(6-2)27-25(30)24-13-14-29(28-24)16-31-21-11-12-22(26)18(4)15-21/h7-15,17,23H,5-6,16H2,1-4H3,(H,27,30)