1-(2-azanyl-4-fluoranyl-phenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 1-(2-azanyl-4-fluoranyl-phenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one Openeye Name: 1-(2-amino-4-fluoro-phenyl)-4-[4-(3-isoquinolyl)piperazin-1-yl]butan-1-one CAS Name: 1-(2-amino-4-fluorophenyl)-4-[4-(3-isoquinolinyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(2-amino-4-fluorophenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one Traditional Name: 1-(2-amino-4-fluoro-phenyl)-4-[4-(3-isoquinolyl)piperazino]butan-1-one Formula: C23H25FN4O MolecularWeight: 392.469203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=C(C=C(C=C2)F)N)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=C(C=C(C=C2)F)N)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C23H25FN4O/c24-19-7-8-20(21(25)15-19)22(29)6-3-9-27-10-12-28(13-11-27)23-14-17-4-1-2-5-18(17)16-26-23/h1-2,4-5,7-8,14-16H,3,6,9-13,25H2