3-[5-(3-azanylpropyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione

Systemtic Name: 3-[5-(3-azanylpropyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione Openeye Name: 3-[5-(3-aminopropyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione CAS Name: 3-[5-(3-aminopropyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione IUPAC Name: 3-[5-(3-aminopropyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione Traditional Name: 3-[5-(3-aminopropyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-pyrroline-2,5-quinone Formula: C16H15FN4O2 MolecularWeight: 314.314303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2C3=CC(=O)NC3=O)CCCN)F

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2C3=CC(=O)NC3=O)CCCN)F

InChI

InChI=1S/C16H15FN4O2/c17-10-5-3-9(4-6-10)15-14(11-8-13(22)19-16(11)23)12(20-21-15)2-1-7-18/h3-6,8H,1-2,7,18H2,(H,20,21)(H,19,22,23)