4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H32N4O/c1-20-25(26(31)30(27(20)2)23-11-4-3-5-12-23)19-28-15-8-13-24(18-28)29-16-14-21-9-6-7-10-22(21)17-29/h3-7,9-12,24H,8,13-19H2,1-2H3