1-(4-fluorophenyl)-4-[3-(methylamino)phenyl]pyrazole-3-carbonitrile hydrochloride

Systemtic Name: 1-(4-fluorophenyl)-4-[3-(methylamino)phenyl]pyrazole-3-carbonitrile hydrochloride Openeye Name: 1-(4-fluorophenyl)-4-[3-(methylamino)phenyl]pyrazole-3-carbonitrile hydrochloride CAS Name: 1-(4-fluorophenyl)-4-[3-(methylamino)phenyl]-3-pyrazolecarbonitrile hydrochloride IUPAC Name: 1-(4-fluorophenyl)-4-[3-(methylamino)phenyl]pyrazole-3-carbonitrile hydrochloride Traditional Name: 1-(4-fluorophenyl)-4-[3-(methylamino)phenyl]pyrazole-3-carbonitrile hydrochloride Formula: C17H14ClFN4 MolecularWeight: 328.771263

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=C1)C2=CN(N=C2C#N)C3=CC=C(C=C3)F.Cl

Isomeric SMILES

CNC1=CC=CC(=C1)C2=CN(N=C2C#N)C3=CC=C(C=C3)F.Cl

InChI

InChI=1S/C17H13FN4.ClH/c1-20-14-4-2-3-12(9-14)16-11-22(21-17(16)10-19)15-7-5-13(18)6-8-15;/h2-9,11,20H,1H3;1H