3-[4-(1,3-dihydrobenzotriazol-2-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrrole-2,5-dione

Systemtic Name: 3-[4-(1,3-dihydrobenzotriazol-2-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(1,3-dihydrobenzotriazol-2-yl)-1-piperidyl]-1-(4-fluorophenyl)pyrrole-2,5-dione CAS Name: 3-[4-(1,3-dihydrobenzotriazol-2-yl)-1-piperidinyl]-1-(4-fluorophenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(1,3-dihydrobenzotriazol-2-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrrole-2,5-dione Traditional Name: 3-[4-(1,3-dihydrobenzotriazol-2-yl)piperidino]-1-(4-fluorophenyl)-3-pyrroline-2,5-quinone Formula: C21H20FN5O2 MolecularWeight: 393.414203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2NC3=CC=CC=C3N2)C4=CC(=O)N(C4=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCC1N2NC3=CC=CC=C3N2)C4=CC(=O)N(C4=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H20FN5O2/c22-14-5-7-15(8-6-14)26-20(28)13-19(21(26)29)25-11-9-16(10-12-25)27-23-17-3-1-2-4-18(17)24-27/h1-8,13,16,23-24H,9-12H2