3-(4-fluorophenyl)-1-(3-piperazin-1-ylisoquinolin-1-yl)propan-1-one

Systemtic Name: 3-(4-fluorophenyl)-1-(3-piperazin-1-ylisoquinolin-1-yl)propan-1-one Openeye Name: 3-(4-fluorophenyl)-1-(3-piperazin-1-yl-1-isoquinolyl)propan-1-one CAS Name: 3-(4-fluorophenyl)-1-[3-(1-piperazinyl)-1-isoquinolinyl]-1-propanone IUPAC Name: 3-(4-fluorophenyl)-1-(3-piperazin-1-ylisoquinolin-1-yl)propan-1-one Traditional Name: 3-(4-fluorophenyl)-1-(3-piperazino-1-isoquinolyl)propan-1-one Formula: C22H22FN3O MolecularWeight: 363.427983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC3=CC=CC=C3C(=N2)C(=O)CCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1)C2=CC3=CC=CC=C3C(=N2)C(=O)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O/c23-18-8-5-16(6-9-18)7-10-20(27)22-19-4-2-1-3-17(19)15-21(25-22)26-13-11-24-12-14-26/h1-6,8-9,15,24H,7,10-14H2