3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCN3CC(C4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCN3CC(C4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O/c32-27(31-18-16-30(17-19-31)26-12-6-7-14-28-26)13-15-29-20-23-10-4-5-11-24(23)25(21-29)22-8-2-1-3-9-22/h1-12,14,25H,13,15-21H2