N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)ethyl]-1-(3-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[2-(4-ethylpiperazino)ethyl]-1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C22H27FN6O MolecularWeight: 410.487783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)N4C=CC=C4

Isomeric SMILES

CCN1CCN(CC1)CCNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)N4C=CC=C4

InChI

InChI=1S/C22H27FN6O/c1-2-26-12-14-27(15-13-26)11-8-24-21(30)20-17-25-29(19-7-5-6-18(23)16-19)22(20)28-9-3-4-10-28/h3-7,9-10,16-17H,2,8,11-15H2,1H3,(H,24,30)