2-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-7-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-7-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-7-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-7-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(3-fluorobenzoyl)piperazino]-7-methyl-quinoline-3-carbonitrile Formula: C22H19FN4O MolecularWeight: 374.410863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F)C#N

InChI

InChI=1S/C22H19FN4O/c1-15-5-6-16-12-18(14-24)21(25-20(16)11-15)26-7-9-27(10-8-26)22(28)17-3-2-4-19(23)13-17/h2-6,11-13H,7-10H2,1H3