2-(cyclopentylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one

Systemtic Name: 2-(cyclopentylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one Openeye Name: 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one CAS Name: 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(1-piperazinylmethyl)-3-pyridazinone IUPAC Name: 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one Traditional Name: 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-4-(piperazinomethyl)pyridazin-3-one Formula: C22H29FN4O2 MolecularWeight: 400.489663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)CN3CCNCC3)CC4CCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)CN3CCNCC3)CC4CCCC4)F

InChI

InChI=1S/C22H29FN4O2/c1-29-21-7-6-17(12-19(21)23)20-13-18(15-26-10-8-24-9-11-26)22(28)27(25-20)14-16-4-2-3-5-16/h6-7,12-13,16,24H,2-5,8-11,14-15H2,1H3