[4-(2-fluorophenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone

Systemtic Name: [4-(2-fluorophenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Openeye Name: [4-(2-fluorophenyl)piperazin-1-yl]-[1-(1-piperidyl)-4-isoquinolyl]methanone CAS Name: [4-(2-fluorophenyl)-1-piperazinyl]-[1-(1-piperidinyl)-4-isoquinolinyl]methanone IUPAC Name: [4-(2-fluorophenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Traditional Name: [4-(2-fluorophenyl)piperazino]-(1-piperidino-4-isoquinolyl)methanone Formula: C25H27FN4O MolecularWeight: 418.506483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C25H27FN4O/c26-22-10-4-5-11-23(22)28-14-16-30(17-15-28)25(31)21-18-27-24(29-12-6-1-7-13-29)20-9-3-2-8-19(20)21/h2-5,8-11,18H,1,6-7,12-17H2