4-cyano-1-(2-iodanylphenyl)-5-(4-methoxyphenyl)-N-piperidin-1-yl-pyrazole-3-carboxamide

Systemtic Name: 4-cyano-1-(2-iodanylphenyl)-5-(4-methoxyphenyl)-N-piperidin-1-yl-pyrazole-3-carboxamide Openeye Name: 4-cyano-1-(2-iodophenyl)-5-(4-methoxyphenyl)-N-(1-piperidyl)pyrazole-3-carboxamide CAS Name: 4-cyano-1-(2-iodophenyl)-5-(4-methoxyphenyl)-N-(1-piperidinyl)-3-pyrazolecarboxamide IUPAC Name: 4-cyano-1-(2-iodophenyl)-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide Traditional Name: 4-cyano-1-(2-iodophenyl)-5-(4-methoxyphenyl)-N-piperidino-pyrazole-3-carboxamide Formula: C23H22IN5O2 MolecularWeight: 527.35755

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3I)C(=O)NN4CCCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3I)C(=O)NN4CCCCC4)C#N

InChI

InChI=1S/C23H22IN5O2/c1-31-17-11-9-16(10-12-17)22-18(15-25)21(23(30)27-28-13-5-2-6-14-28)26-29(22)20-8-4-3-7-19(20)24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,27,30)