(E)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-3-(3-phenylmethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-3-(3-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-benzyloxyphenyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-1-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-3-(3-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-3-(3-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-benzoxyphenyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]prop-2-en-1-one Formula: C31H32N2O3 MolecularWeight: 480.59738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C(=O)C=CC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C(=O)/C=C/C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H32N2O3/c34-30(14-13-24-9-6-12-29(21-24)36-23-25-7-2-1-3-8-25)32-18-16-27(17-19-32)31(35)33-20-15-26-10-4-5-11-28(26)22-33/h1-14,21,27H,15-20,22-23H2/b14-13+