N-(2-dimethylaminoethyl)-1-(4-fluorophenyl)-4-phenylmethoxy-pyrazole-3-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-1-(4-fluorophenyl)-4-phenylmethoxy-pyrazole-3-carboxamide Openeye Name: 4-benzyloxy-N-(2-dimethylaminoethyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-1-(4-fluorophenyl)-4-phenylmethoxy-3-pyrazolecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carboxamide Traditional Name: 4-benzoxy-N-(2-dimethylaminoethyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=NN(C=C1OCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCNC(=O)C1=NN(C=C1OCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O2/c1-25(2)13-12-23-21(27)20-19(28-15-16-6-4-3-5-7-16)14-26(24-20)18-10-8-17(22)9-11-18/h3-11,14H,12-13,15H2,1-2H3,(H,23,27)