1-[(3-fluorophenyl)methyl]-6-methyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinolin-2-one

Systemtic Name: 1-[(3-fluorophenyl)methyl]-6-methyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinolin-2-one Openeye Name: 1-[(3-fluorophenyl)methyl]-6-methyl-3-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]quinolin-2-one CAS Name: 1-[(3-fluorophenyl)methyl]-6-methyl-3-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-2-quinolinone IUPAC Name: 1-[(3-fluorophenyl)methyl]-6-methyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinolin-2-one Traditional Name: 1-(3-fluorobenzyl)-6-methyl-3-[[4-(2-pyridylmethyl)piperazino]methyl]carbostyril Formula: C28H29FN4O MolecularWeight: 456.554463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)CN3CCN(CC3)CC4=CC=CC=N4)CC5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)CN3CCN(CC3)CC4=CC=CC=N4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C28H29FN4O/c1-21-8-9-27-23(15-21)17-24(28(34)33(27)18-22-5-4-6-25(29)16-22)19-31-11-13-32(14-12-31)20-26-7-2-3-10-30-26/h2-10,15-17H,11-14,18-20H2,1H3