1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-[4-(pyrrolidine-1-carbonyl)piperazino]quinoline-3-carbonitrile Formula: C26H26FN5O2 MolecularWeight: 459.515343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

Isomeric SMILES

C1CCN(C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C26H26FN5O2/c27-20-9-7-19(8-10-20)18-32-23-6-2-1-5-21(23)24(22(17-28)25(32)33)29-13-15-31(16-14-29)26(34)30-11-3-4-12-30/h1-2,5-10H,3-4,11-16,18H2