N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-3-yl]-5-(1-piperidylmethyl)furan-2-carboxamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-3-pyrazolyl]-5-(1-piperidinylmethyl)-2-furancarboxamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-3-yl]-5-(piperidinomethyl)-2-furamide Formula: C21H22ClFN4O2 MolecularWeight: 416.876383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(O2)C(=O)NC3=NN(C=C3)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(O2)C(=O)NC3=NN(C=C3)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H22ClFN4O2/c22-18-12-16(23)5-4-15(18)13-27-11-8-20(25-27)24-21(28)19-7-6-17(29-19)14-26-9-2-1-3-10-26/h4-8,11-12H,1-3,9-10,13-14H2,(H,24,25,28)