(3R)-3-azanyl-4-(2-fluorophenyl)-1-(4-isoquinolin-1-ylpiperazin-1-yl)butan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC3=CC=CC=C32)C(=O)CC(CC4=CC=CC=C4F)N

Isomeric SMILES

C1CN(CCN1C2=NC=CC3=CC=CC=C32)C(=O)C[C@@H](CC4=CC=CC=C4F)N

InChI

InChI=1S/C23H25FN4O/c24-21-8-4-2-6-18(21)15-19(25)16-22(29)27-11-13-28(14-12-27)23-20-7-3-1-5-17(20)9-10-26-23/h1-10,19H,11-16,25H2/t19-/m1/s1