1-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-keto-ethyl]cinnolin-4-one Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)C=N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)C=N3)F

InChI

InChI=1S/C22H23FN4O3/c1-30-21-7-6-16(12-18(21)23)14-25-8-10-26(11-9-25)22(29)15-27-19-5-3-2-4-17(19)20(28)13-24-27/h2-7,12-13H,8-11,14-15H2,1H3