4-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]carbonyl-N-prop-2-enyl-piperazine-1-carboxamide

Systemtic Name: 4-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]carbonyl-N-prop-2-enyl-piperazine-1-carboxamide Openeye Name: N-allyl-4-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide CAS Name: 4-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]-N-prop-2-enyl-1-piperazinecarboxamide IUPAC Name: 4-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]-N-prop-2-enylpiperazine-1-carboxamide Traditional Name: N-allyl-4-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide Formula: C24H23ClFN5O2 MolecularWeight: 467.923123

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

C=CCNC(=O)N1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23ClFN5O2/c1-2-11-27-24(33)30-14-12-29(13-15-30)23(32)21-16-22(17-3-5-18(25)6-4-17)31(28-21)20-9-7-19(26)8-10-20/h2-10,16H,1,11-15H2,(H,27,33)