3-(4-ethylpiperazin-1-yl)-1-[(4-fluorophenyl)methyl]-4-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 3-(4-ethylpiperazin-1-yl)-1-[(4-fluorophenyl)methyl]-4-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(4-ethylpiperazin-1-yl)-1-[(4-fluorophenyl)methyl]-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(4-ethyl-1-piperazinyl)-1-[(4-fluorophenyl)methyl]-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(4-ethylpiperazin-1-yl)-1-[(4-fluorophenyl)methyl]-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(4-ethylpiperazino)-1-(4-fluorobenzyl)-4-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C27H28FN5O3 MolecularWeight: 489.541323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C4=C(NN(C4=O)C)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C4=C(NN(C4=O)C)C5=CC=CC=C5

InChI

InChI=1S/C27H28FN5O3/c1-3-31-13-15-32(16-14-31)24-22(21-23(29-30(2)25(21)34)19-7-5-4-6-8-19)26(35)33(27(24)36)17-18-9-11-20(28)12-10-18/h4-12,29H,3,13-17H2,1-2H3