N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]pyrazole-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]pyrazole-4-carboxamide Formula: C21H23FN4O MolecularWeight: 366.431923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CN(N=C1)CC2=CC=CC=C2)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)C(CNC(=O)C1=CN(N=C1)CC2=CC=CC=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN4O/c1-25(2)20(17-9-6-10-19(22)11-17)13-23-21(27)18-12-24-26(15-18)14-16-7-4-3-5-8-16/h3-12,15,20H,13-14H2,1-2H3,(H,23,27)