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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-(4-pyrazinoylpiperazino)quinoline-3-carbonitrile Formula: C26H21FN6O2 MolecularWeight: 468.482343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C#N)C(=O)C5=NC=CN=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C#N)C(=O)C5=NC=CN=C5

InChI

InChI=1S/C26H21FN6O2/c27-19-7-5-18(6-8-19)17-33-23-4-2-1-3-20(23)24(21(15-28)25(33)34)31-11-13-32(14-12-31)26(35)22-16-29-9-10-30-22/h1-10,16H,11-14,17H2